Time stamp: Sun Jul 12 17:28:18 2020 ^

Comparison of Structures of Solids Predicted using PM7 and PM6-D3H4 with X-Ray

(Periodic Table - Home - PM7 and PM6-D3H4 Accuracy - Manual)

HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

 Average unsigned error in PM7      HoF: 15.06 kcal/mol, for 670 solids; geometries: 26.04 for 2405 solids 
                           PM6_D3H4 HoF: 91.85 kcal/mol;                 geometries: 33.87 

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7    PM6-D3H4       PM7 PM6-D3H4 
     1  (JSmol)     0.0        -0.1       -0.1        0.0    0.0   Helium (He) (ICSD 44396)
     2  (JSmol)     0.0        17.9        -.-       69.3    -.-   Lithium (Li) (ICSD 77370)
     3  (JSmol)     0.0         8.7       -1.3       37.9   97.6   Beryllium (Be) hcp (ICSD 600013)
     4  (JSmol)     0.0        -4.1       -9.0        4.5   33.8   Boron (B)
     5  (JSmol)   -45.6       -34.1      -38.4       41.1   71.0   Lithium borohydride (XIHFAW)
     6  (JSmol)                 9.7        8.2        0.1    3.4   Glitter (C)
     7  (JSmol)     0.0         0.4        0.1        2.5    8.2   Graphite (C)
     8  (JSmol)                 5.0        1.9        4.3    7.3   Lonsdaleite (C)
     9  (JSmol)                 6.6        3.0        0.4    2.9   bct-Carbon (C)
    10  (JSmol)                 6.8        3.2        0.2    2.8   bct-Carbon P=20Gp (C)
    11  (JSmol)               -17.2       -4.4        5.6    7.5   Tetradeuteromethane (ZZZWEQ14)
    12  (JSmol)                 7.8        1.5        0.6    3.6   Diamond (C)
    13  (JSmol)                -2.7       23.1        7.8   13.9   Lithium acetylide (Li2C2) (ICSD 89535)
    14  (JSmol)               -30.7      -14.6       25.1   36.1   VII Propane (JAYDUI)
    15  (JSmol)               -45.4      -18.3       32.0   24.0   Neopentane (ZZWGY01)
    16  (JSmol)               -44.7      -26.1       28.8   20.3   n-Pentane (PENTAN01)
    17  (JSmol)                15.6       15.2        7.5   10.5   Benzene (BENZEN)
    18  (JSmol)               -37.2      -27.1       18.6   16.3   Cyclohexane (CYCHEX)
    19  (JSmol)    18.8        23.5       24.6       26.3    1.1   Naphthalene (NAPHTA32)
    20  (JSmol)   -46.0       -42.3      -38.6       19.4   22.7   Adamantane (ADAMAN08)
    21  (JSmol)    23.5        27.4       30.5       21.5   13.4   Biphenyl (BIPHEN04)
    22  (JSmol)   -38.8       -46.7       -6.4       23.2   23.4   Hexamethylbenzene (HMBENZ04)
    23  (JSmol)    21.6        26.4       26.9       25.4   10.3   Fluorene (FLUREN02)
    24  (JSmol)    30.0        35.5       40.7       29.1   44.8   Anthracene (ANTCEN14)
    25  (JSmol)                31.8       34.3       23.2   27.6   Phenanthrene (121) (PHENAN08)
    26  (JSmol)                29.6       33.1       51.9   17.7   Phenanthrene (221) (PHENAN08)
    27  (JSmol)                28.4       30.3       21.3   14.1   Phenanthrene (222) (PHENAN08)
    28  (JSmol)                28.3       29.9       21.9   15.8   Phenanthrene (232) (PHENAN08)
    29  (JSmol)    26.2        31.5       35.2       32.7   17.5   Phenanthrene (PHENAN08)
    30  (JSmol)    15.9        14.2       17.8       27.4   16.8   9,10-Dihydroanthracene (DITBOX)
    31  (JSmol)    31.8        30.8       34.9       14.2    4.6   trans-Stilbene (TSTILB03)
    32  (JSmol)   -57.8       -49.8      -49.0       21.0   23.3   Diadamantane (CONGRS)
    33  (JSmol)   -88.9       -88.5      -60.9       21.5   20.0   Cyclotetradecane (CYTDEC)
    34  (JSmol)               114.3      112.4       18.2   10.7   Azuleno-azulene (COLDEM)
    35  (JSmol)    45.5        51.0       49.3       18.9   46.5   Fluoranthene (FLUANT02)
    36  (JSmol)    29.9        35.4       38.0       28.9    5.2   Pyrene (PYRENE02)
    37  (JSmol)    44.1        41.5       45.9       15.8   14.3   Benzo[c]phenanthrene (BZPHAN01)
    38  (JSmol)    34.7        39.1       41.7       25.5    4.2   Chrysene (CRYSEN01)
    39  (JSmol)    49.4        46.4       45.7       21.2   16.6   Tetracene (TETCEN01)
    40  (JSmol)    35.9        37.6       41.9       19.2   12.9   Triphenylene (TRIPHE12)
    41  (JSmol)    42.7        49.7       53.8       23.1   14.5   Dibenzanthracene (SANQII)
    42  (JSmol)                61.4       59.7       16.8   12.0   Pentacene (PENCEN02)
    43  (JSmol)    36.4        46.0       47.8       24.8    8.0   Coronene (CORONE)
    44  (JSmol)    90.6        75.9       77.7       13.9   10.7   Dibenzo(g,p)chrysene (TEBNAP)
    45  (JSmol)                75.6       74.3       27.0    8.6   Hexahelicene (HEXHEL)
    46  (JSmol)    73.2        63.9       60.5       16.1   13.0   Anthracene photodimer (DPANTH03)
    47  (JSmol)               793.5      751.3        8.9    7.4   Buckminsterfullerene (C60)
    48  (JSmol)   -42.9       -17.2      -74.0       27.6   17.8   Lithium amide (LiNH2) (ICSD 51679)
    49  (JSmol)   -60.8       -58.1      -76.9       14.1    2.9   Boron Nitride (BN)
    50  (JSmol)               -47.8      -34.4       10.2   42.4   BH3NH3
    51  (JSmol)                -9.6       -4.4       21.5   21.2   Piperazine
    52  (JSmol)                -1.5       -1.1       23.1   20.3   Triethylenediamine (TETDAM)
    53  (JSmol)                 4.3        7.8       24.9   25.1   XI Azetidine (XATMOV)
    54  (JSmol)   -34.1       -44.6      -25.6       18.9   22.0   (Trimethylamine)-borane (ZZZVPE02)
    55  (JSmol)   -67.9       -74.3      -44.5       31.4   25.9   Aminetrimethylborane (RIJHIB)
    56  (JSmol)                17.5       19.1       23.3   13.4   Pyridine (PYRDNA03)
    57  (JSmol)               -11.2       -1.1       21.3   28.9   m-Toluidine (FANDOO)
    58  (JSmol)                -6.6        6.3       23.8   19.5   N N'-(6 6'-dimethylbiphenyl-2 2'-diyl)bis(methylamine) (ENIWIH)
    59  (JSmol)     0.0        30.0       36.8       14.3   15.8   Nitrogen (N2) (ICSD 15472)
    60  (JSmol)                 7.3       13.4       23.6   21.2   m-Aminopyridine (AMIPYR)
    61  (JSmol)                -1.2        7.2       23.6   14.4   o-Aminopyridine (AMPYRD)
    62  (JSmol)                -0.2        6.8       22.3   15.4   p-Aminopyridine (AMPYRE)
    63  (JSmol)               -11.0        1.3       21.1   13.1   o-Diaminobenzene (BAGFIY)
    64  (JSmol)               -11.4       -1.0       23.5   17.6   p-Diaminobenzene (PENDAM)
    65  (JSmol)                 6.6       18.9       27.0   20.9   4-Dimethylaminopyridine (BUKJOG10)
    66  (JSmol)                40.3       42.3       15.7   12.9   4,4'-Bipyridine
    67  (JSmol)                25.1       30.6       28.8   19.6   1,2-bis(4-Pyridyl)ethane (ZEXKIW)
    68  (JSmol)                -4.4       10.4       14.1   20.2   2-Amino-4-methylpyrimidine (XAQNUZ)
    69  (JSmol)                25.4       34.5       25.3   21.8   Diphenylguanidine
    70  (JSmol)                47.8       53.8       27.6   14.6   Triphenylguanidine
    71  (JSmol)               -16.5       27.7       17.4   27.3   1,2,3-Triaminoguanidine (FASGUB)
    72  (JSmol)   -15.8       -43.4       -3.5       17.8   16.3   Melamine (MELAMI07)
    73  (JSmol)               -67.0      -42.3       19.2    4.8   Ice-10
    74  (JSmol)   -69.7       -78.4      -64.5       15.8   25.4   Ice-11
    75  (JSmol)               -76.5      -65.4       21.7   28.3   Ice-12
    76  (JSmol)               -75.2      -65.2       15.2   28.5   Ice-13
    77  (JSmol)               -75.0      -65.0       22.1   26.2   Ice-14
    78  (JSmol)               -77.4      -65.1       20.9   22.6   Ice-2
    79  (JSmol)               -73.4      -63.4       12.4   23.2   Ice-3
    80  (JSmol)               -74.6      -64.8       18.6   30.1   Ice-5
    81  (JSmol)               -77.1      -65.5       31.9   26.9   Ice-6
    82  (JSmol)               -78.2      -63.9       41.8   41.6   Ice-7
    83  (JSmol)               -79.1      -65.2       11.8   14.3   Ice-8
    84  (JSmol)   -69.7       -78.9      -64.9       15.4   22.5   ice-Ih
    85  (JSmol)  -115.9      -100.7     -106.2       15.3   16.3   Lithium hydroxide (LiOH) (ICSD 27543)
    86  (JSmol)  -143.1      -152.5     -144.3        7.1   11.9   Lithium oxide (Li2O) (ICSD 173180)
    87  (JSmol)              -149.0     -129.2        2.8   12.2   Beryllium oxide (BeO) (ICSD 391224)
    88  (JSmol)               -46.8      -48.2       17.3   22.9   1,4-Dioxane
    89  (JSmol)               -26.9      -25.2       22.2   31.7   XII Acrolein
    90  (JSmol)                20.8       14.4       10.9   10.0   I (XULDUD01)
    91  (JSmol)               -93.1      -78.6       24.6   23.2   Dodecanoic acid (LAURAC05)
    92  (JSmol)               -36.6      -31.0       13.1   17.9   Acetophenone (ACETPH)
    93  (JSmol)                15.8       11.3       14.4    9.4   1,3-bis(2-Furyl)azulene (GUDKAS)
    94  (JSmol)   -76.3       -71.4      -57.6        8.2    9.2   Camphor (UGAHUF)
    95  (JSmol)  -161.3      -161.4     -115.3       14.0    8.2   Cholesterol (CHOEST20)
    96  (JSmol)   -39.7       -44.6      -46.4       10.0    8.3   2-Pyridone (PYRIDO04)
    97  (JSmol)               -51.3      -48.5       10.7    2.6   m-Aminophenol (MAMPOL02)
    98  (JSmol)               -44.1      -54.3       11.9   29.5   o-Aminophenol (AMPHOM02)
    99  (JSmol)               -53.0      -59.9       16.5   29.6   p-Aminophenol (AMPHOL01)
   100  (JSmol)   -78.7       -80.7      -74.9        8.4   19.7   Caprolactam (CAPLAC)
   101  (JSmol)   -42.0       -40.6      -31.4       27.7   17.0   NN-Dimethylbenzamide (ODOTOQ)
   102  (JSmol)               -93.5      -76.1       42.7    6.7   Urea (UREAXX13)
   103  (JSmol)   -79.5       -77.6      -68.7       22.8   28.2   N-Methylurea (MEUREA)
   104  (JSmol)   -74.6       -73.2      -61.5       11.9   17.1   (Z Z)-N N'-Dimethylurea (NIJHUJ)
   105  (JSmol)   -75.3       -79.2      -63.1       18.5   19.9   NN-Dimethylurea (WIFKEB)
   106  (JSmol)               -38.8      -33.8       16.0   17.5   Caffeine
   107  (JSmol)               -68.3      -45.4       25.9   32.8   Tetramethylurea (TIDBIR)
   108  (JSmol)                28.1       28.5       20.6   12.5   XVI 2-Diazo-3,5-cyclohexadiene-1-one
   109  (JSmol)               -42.2      -36.4       16.8   13.6   Isonicotinamide (EHOWIH)
   110  (JSmol)   -32.2       -41.2      -33.9       11.8   11.8   Nicotinamide (NICOAM01)
   111  (JSmol)               -45.7      -43.1       14.8   16.3   1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane (RIZVOL)
   112  (JSmol)               -76.3      -52.1       21.9   15.4   Lidocaine
   113  (JSmol)               -13.2      -10.8       19.2   16.8   Carbamazepine (CBMZPN01)
   114  (JSmol)               -43.5      -36.5        9.0   13.6   8-Azaguanine hydrate (AZGUAN)
   115  (JSmol)               -63.0      -53.7       11.3   11.7   Cytosine
   116  (JSmol)               -88.0      -41.3       19.8   16.8   Aqua-tris(2-((dimethylamino)methyl)phenyl)borane (QEVYEV)
   117  (JSmol)                13.0       14.7       16.3   16.0   Nevirapine
   118  (JSmol)                 9.5       34.5       21.8   23.4   4-(2,6-Dimethyl-4-N,N-diethylaminophenylimino)-3-methyl-1-phenyl-2-pyrazolin-5-one (MEPMPZ10)
   119  (JSmol)   -44.0       -43.9      -34.0        9.1   15.6   Guanine
   120  (JSmol)               -21.0      -11.8       11.3   12.5   9-(2-Hydroxyethyl)adenine (FABFUJ)
   121  (JSmol)                -9.6       -0.5       10.1   15.2   8-Azaguanine (AZGUAN01)
   122  (JSmol)     0.0         1.7        2.3       30.1   56.0   Oxygen (O2) (ICSD 18311)
   123  (JSmol)              -170.7     -173.8       22.0   18.3   Lithium hydroxide hydrate (LiOH (H2O))
   124  (JSmol)  -216.5      -227.8     -201.7       25.7   21.6   Beryllium hydroxide (Be(OH)2) (ICSD 50445)
   125  (JSmol)  -216.5      -225.0     -199.1       30.7   24.6   Clinobehoite (Be(OH)2)
   126  (JSmol)  -191.9      -189.3     -188.6       16.7   16.2   Metaboric acid (HBO2) (ICSD 280303)
   127  (JSmol)  -191.9      -197.4     -196.7        6.2    4.2   Metaboric acid (cubic) (HBO2) (ICSD 280304)
   128  (JSmol)  -246.7      -276.7     -263.8        4.8   10.6   Lithium metaborate (LiBO2) (ICSD 34256)
   129  (JSmol)               -88.7      -89.9        7.7   23.2   Carbon dioxide (CO2) (ICSD 16428)
   130  (JSmol)              -105.8     -108.4       23.3   37.4   Octahydroxycyclobutane (HOCBUT)
   131  (JSmol)              -111.3     -105.9       29.9   33.1   Acetylacetone (LIWPIQ01)
   132  (JSmol)   -88.6       -94.7      -93.5       17.8   12.7   Resorcinol (RESORA03)
   133  (JSmol)   -88.6       -94.8      -93.2       13.2   10.9   alpha Resorcinol
   134  (JSmol)   -88.6       -94.9      -94.0       19.3   23.9   beta Resorcinol
   135  (JSmol)   -92.0       -89.8      -89.6       20.9   17.9   Benzoic acid (BENZAC02)
   136  (JSmol)   -99.6       -99.7      -96.1       20.7   20.7   2-Methylbenzoic acid (OTOLIC02)
   137  (JSmol)               -70.9      -63.2       13.7   14.5   o-Dimethoxybenzene (TUKGEL)
   138  (JSmol)   -77.8       -79.8      -77.7       41.9   17.7   Cinnamic acid (CINMAC06)
   139  (JSmol)               -61.8      -57.8       20.6   22.3   Phenylmalondialdehyde (PROLON)
   140  (JSmol)               -67.3      -69.7       17.2   11.4   Phenolphthalein (NIMDAO)
   141  (JSmol)               -83.3      -80.3       20.7   11.7   4,4'-Biphenol (DOHDPH02)
   142  (JSmol)              -207.9     -162.1        8.9   10.2   Cholesteryl acetate (CHOLAD04)
   143  (JSmol)  -126.3      -133.9     -154.8       11.9   15.5   alpha Glycine
   144  (JSmol)  -126.3      -135.0     -152.8       22.0    8.8   beta Glycine
   145  (JSmol)  -126.3      -130.2     -147.1       13.4   15.4   gamma Glycine
   146  (JSmol)  -134.0      -133.6     -144.6        7.3   13.5   L-Alanine
   147  (JSmol)  -130.8      -136.5     -151.4       22.6   23.8   beta-Alanine (BALNIN01)
   148  (JSmol)              -145.3     -155.9       22.5   24.9   Lysine acetate (CETSOJ)
   149  (JSmol)              -127.2     -138.6       21.1   17.8   L-proline
   150  (JSmol)               -75.1      -77.2       44.0   40.8   XIX 1,8-Naphthyridinium fumarate
   151  (JSmol)  -152.3      -154.6     -157.8       25.3   25.2   Leucine (LEUCIN02)
   152  (JSmol)              -150.6     -158.6       14.0   28.4   epsilon-Amino-n-caproic acid (AMCAPR10)
   153  (JSmol)              -104.4      -99.3       19.9   17.1   2-Hydroxybenzamide (Salicylamide)
   154  (JSmol)   -98.0      -100.4      -97.2       13.4    8.4   4-Aminobenzoic acid (AMBNAC04)
   155  (JSmol)               -48.5      -46.1       23.8   23.6   Salicylaldoxime (SALOXM)
   156  (JSmol)   -95.9      -102.9     -107.8       12.2   17.3   o-Amino benzoic acid (AMBACO07)
   157  (JSmol)              -127.6     -140.7       25.0   20.4   Ammonium benzoate (YABFEO)
   158  (JSmol)              -112.1     -127.1       12.6   16.1   4-Aminophenylacetic acid (FONGUL)
   159  (JSmol)              -125.6     -124.2       15.0   19.9   IV (BOQQUT01)
   160  (JSmol)                -0.7       -6.0       10.4   21.5   1,3,5-Trinitro-1,3,5-triazacyclohexane (CTMTNA03)
   161  (JSmol)              -109.0     -107.8       17.9   20.9   VIII Hydantoin (PAHYON01)
   162  (JSmol)  -101.4      -109.2     -111.2       12.2   16.8   Uracil (URACIL)
   163  (JSmol)  -110.6      -118.1     -111.7       18.9   23.7   Thymine (THYMIN01)
   164  (JSmol)   -10.9       -19.7      -21.2       30.8   20.1   4-Nitroaniline (NANILI22)
   165  (JSmol)               -15.6       -1.7       27.7   17.0   N N-2 6-Tetramethyl-4-nitroaniline (FOCVOI)
   166  (JSmol)               -87.6      -80.8       19.1   19.2   4,5-bis(Dimethylamino)-1,8-dihydroxynaphthalene (RISBIE)
   167  (JSmol)               -95.4      -83.6       16.6   12.2   Hydroquinone bis(aniline) (HIBFUT)
   168  (JSmol)              -132.5     -119.2        6.3   16.3   Cytosine (CYTOSM03)
   169  (JSmol)              -107.9      -87.9       19.1   17.0   XV 2-amino-4-methylpyrimidine and 2-methylbenzoic acid
   170  (JSmol)               -79.6      -69.6       19.0   23.3   Theophylline
   171  (JSmol)               -54.9      -48.1       20.2   14.5   Carbamazepine isonicotinamide (LOFKIB01)
   172  (JSmol)  -261.5      -256.0     -254.0       13.6   17.3   Orthoboric acid
   173  (JSmol)  -304.4      -311.9     -295.2       23.3   30.2   Boron oxide (B2O3) (ICSD 16021)
   174  (JSmol)  -290.6      -300.5     -286.5       29.7   43.5   Zabuyelite Li2CO3
   175  (JSmol)  -161.6      -168.7     -166.7       19.3   21.8   Lactic Acid (YILLAG)
   176  (JSmol)              -173.7     -173.7       18.8   19.5   Glycerol (GLCROL)
   177  (JSmol)  -112.4       -99.5     -103.2       23.2   19.5   Maleic anhydride (MLEICA01)
   178  (JSmol)  -139.7      -150.9     -149.5       24.8   16.6   Phloroglucinol (PHGLOL)
   179  (JSmol)              -145.1     -142.9       16.1    8.7   Salicylic acid (SALIAC03)
   180  (JSmol)  -141.1      -138.7     -137.6       25.5   13.4   m-Hydroxybenzoic acid (BIDLOP01)
   181  (JSmol)  -141.1      -141.5     -142.0       19.6   15.9   m-hydroxybenzoic acid (BIDLOP)
   182  (JSmol)              -144.7     -145.2       21.2   28.9   p-Hydroxybenzoic acid (JOZZIH)
   183  (JSmol)              -112.3     -110.9       24.0   22.2   Benzoylacrylic crystal structure
   184  (JSmol)              -136.3     -134.5       20.3   19.8   3-Hydroxy-10,10-dimethyl-11-oxatricyclododeca-4,6-dien-8-one (LIGHIV)
   185  (JSmol)              -155.0     -131.1       26.5   21.2   4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid
   186  (JSmol)  -115.5      -114.5     -114.5        5.7   19.6   Lithium nitrate (LiNO3) (ICSD 67981)
   187  (JSmol)  -203.0      -215.8     -236.1       18.2   22.0   NH4HCO3
   188  (JSmol)              -186.3     -182.6        8.2   14.0   N-Acetyl-L-leucine -NH-COH- (ACLLEU)
   189  (JSmol)              -166.8     -161.5       13.6   22.0   N-Acetyl-L-leucine -NH2-CO- (ACLLEU)
   190  (JSmol)              -156.6     -153.0        9.5    6.5   4-Acetamidobenzoic acid
   191  (JSmol)  -163.9      -172.4     -184.3       22.7   17.8   Tyrosine (LTYROS10)
   192  (JSmol)              -178.6     -159.2       22.6   21.8   Tetramethylammonium benzoate monohydrate (ISIHIB)
   193  (JSmol)   -87.4      -105.4     -143.4       13.9   29.0   Ammonium nitrate (NH4NO3)
   194  (JSmol)               -54.4      -55.4       22.6   25.1   3-Nitrobenzamide (JACYOB)
   195  (JSmol)              -146.9     -108.1       22.1   28.2   m-Cresol N,N,N',N'-tetraisopropyloxamide (DUGRIG)
   196  (JSmol)  -168.2      -172.2     -164.3       11.0   15.4   Cyanuric acid (CYURAC12)
   197  (JSmol)              -121.4     -129.8       17.3   12.0   5-Nitrouracilate L-histidinium
   198  (JSmol)               -26.2      -24.4       24.1   15.0   s-Trinitrobenzene-s-triaminobenzene (NIBZAM)
   199  (JSmol)              -159.3     -152.0       15.2   15.0   5-Formato uracil (POWBAF)
   200  (JSmol)              -118.0     -106.1       13.9   18.1   2-(2-(3-Carboxypyridyl))-4-isopropyl-4-methyl-5-oxo-imidazole (JAZCOC01)
   201  (JSmol)  -147.9      -145.1     -148.9        9.9   15.3   Uric acid (URICAC)
   202  (JSmol)              -168.1     -148.7       22.0   15.0   Theophylline urea
   203  (JSmol)              -124.7     -108.1       14.0   12.4   Theophylline isonicotinamide
   204  (JSmol)              -212.7     -174.3        8.9   12.0   Cyanuric acid-Melamine (QACSUI)
   205  (JSmol)  -198.1      -196.3     -190.9       24.8   18.4   Oxalic acid (OXALAC06)
   206  (JSmol)              -319.3     -299.0       24.0   23.1   Lithium acetate (Li(CH3COO) 2(H2O))
   207  (JSmol)              -217.0     -219.9       18.6   31.3   Malonic acid (MALNAC02)
   208  (JSmol)  -193.6      -195.5     -195.3       24.9   12.1   Fumaric acid (FUMAAC)
   209  (JSmol)              -187.0     -187.2       19.1   25.8   Maleic acid (MALIAC11)
   210  (JSmol)  -189.0      -183.8     -186.9       15.8   16.1   Maleic acid (MALIAC13)
   211  (JSmol)              -228.7     -229.0       25.5   21.4   Succinic acid (SUCACB11)
   212  (JSmol)              -235.0     -234.6       22.4   20.2   Glutaric acid
   213  (JSmol)  -186.9      -186.5     -187.4       11.2   15.1   Phthalic acid (PHTHAC01)
   214  (JSmol)              -193.5     -195.0       23.7   28.2   Terephthalic acid (TEPHTH13)
   215  (JSmol)              -184.4     -181.5       21.1   18.2   Aspirin(I) ACSALA01
   216  (JSmol)              -184.2     -182.0       20.9   20.1   Aspirin(II) (ACSALA13)
   217  (JSmol)               -82.1      -90.0       25.0   18.0   6-(Pyran-4-one-2-yl)-1,4-dioxocine (CUWWEW)
   218  (JSmol)              -122.0     -117.6       21.8   20.5   1 4-Dimethoxyanthracene-9 10-dione (VICZAJ)
   219  (JSmol)              -123.0     -118.6       16.2   13.9   1 8-Bis(methoxy)anthraquinone (APUREI01)
   220  (JSmol)              -159.2     -154.9       22.8   19.2   Molecular anvil (RATPEH)
   221  (JSmol)              -198.2     -186.8       16.2   23.5   III (QAMTAZ)
   222  (JSmol)              -125.7     -134.6       29.4   31.4   Oxonium nitrate (H3O NO3) (ICSD 1900)
   223  (JSmol)  -232.6      -238.2     -255.8       19.4   21.8   Aspartic acid (LASPRT)
   224  (JSmol)              -180.3     -179.5       17.3   10.7   Dinicotinic acid (DINICA10)
   225  (JSmol)              -211.7     -211.3       11.4   15.9   Ammonium hydrogen benzoate (AMHBZO)
   226  (JSmol)              -185.0     -182.9       17.7   19.3   4-(Dimethylamino)pyridinium hydrogen maleate (GUKVUE)
   227  (JSmol)              -234.3     -241.0       19.7   23.0   1-diazonia-4-azabicyclo[2.2.2]octane glutarate (UNEFIC)
   228  (JSmol)              -188.7     -186.0       16.9   15.0   4-Hydroxybenzoic acid isonicotinamide (VAKTOR)
   229  (JSmol)              -185.8     -179.3       14.4   12.9   Isonicotinamide 3-hydroxybenzoic acid (LUNMEM)
   230  (JSmol)              -158.4     -157.4       25.4   24.0   bis(Pyridine) fumaric acid (GUKWOZ)
   231  (JSmol)              -178.8     -174.5       21.4   23.3   4-(Dimethylamino)pyridinium hydrogen phthalate (GUKVOY)
   232  (JSmol)              -249.7     -228.3       20.7   38.0   1,4-diazabicyclo[2.2.2]octane azelaic acid (UNEGEZ)
   233  (JSmol)              -264.0     -250.7       22.0   19.4   Resorcinol bis(caprolactam) (QQQGHM01)
   234  (JSmol)              -259.1     -244.7       24.2   16.7   4,4'-Biphenol bis(caprolactam) (KEWZUI)
   235  (JSmol)              -139.5     -139.3       15.5   12.6   Urea nitrate (UREANT02)
   236  (JSmol)              -119.1     -119.4       17.3   16.0   5-Nitrouracil
   237  (JSmol)              -244.3     -258.2       15.3   13.2   L-Histidinium acetate (POPGIK)
   238  (JSmol)              -123.7     -119.0       19.9   13.9   4-Aminobenzoic acid 4-nitroaniline (RILJEB)
   239  (JSmol)              -105.8     -112.1       14.3   17.5   Creatininium nitrate (FETNUO)
   240  (JSmol)              -214.5     -210.4        7.5   25.6   Uric acid monohydrate (GEJQAO)
   241  (JSmol)              -173.4     -167.3       20.0   15.1   bis(Caffeine) oxalic acid (GANXUP)
   242  (JSmol)              -122.7     -124.2       13.4   13.9   Nevirapine 1,4-dioxane
   243  (JSmol)              -177.0     -166.5       20.1   17.6   bis(4-(Dimethylamino)pyridinium) terephthalate (GUKWAL)
   244  (JSmol)              -129.9     -119.9       10.0    7.4   5-Nitrouracil piperazine
   245  (JSmol)              -163.1     -162.1       18.7    7.9   Adenosine (ADENOS11)
   246  (JSmol)                 6.4        9.4       11.6   11.4   m-Diaminobenzene (REDDEJ)
   247  (JSmol)              -184.6     -172.2       15.0   23.3   Theophylline 4-aminobenzoic acid
   248  (JSmol)               -67.8      -68.5       26.1   17.1   5-Nitrouracil triphenylguanidinium
   249  (JSmol)  -245.7      -252.0     -247.7       23.0   17.2   alpha-Ketoglutaric acid (COTPAC)
   250  (JSmol)              -241.5     -250.3       11.6   11.1   Cellulose 1 alpha (ja037055wsi20030711 112804)
   251  (JSmol)              -234.6     -244.9        9.8   11.9   Cellulose 1 beta (ja0257319 s1)
   252  (JSmol)              -239.3     -248.7       19.1   22.2   Alpha-Chitin
   253  (JSmol)              -239.3     -254.9        9.0   14.3   alpha-Chitin (SUSGIW)
   254  (JSmol)              -144.1     -142.6       19.2   18.7   Cinnamic acid 3-nitrobenzamide (OPUSOI)
   255  (JSmol)              -250.8     -250.9       15.9   15.9   2-Hydroxybenzamide 4-acetoamidobenzoic acid
   256  (JSmol)              -195.4     -189.0       11.6   14.3   Aspirin carbamazepine (TAZRAO)
   257  (JSmol)              -198.0     -185.2       22.1   11.4   5-Nitrouracil monohydrate
   258  (JSmol)              -160.0     -161.9       16.0    6.5   5-Nitrouracil dioxane
   259  (JSmol)               -71.2      -66.1       17.0   12.6   X (HAMTIZ01)
   260  (JSmol)              -223.7     -220.2       21.1   24.4   Theophylline salicylic acid
   261  (JSmol)              -178.6     -181.0       13.6   11.9   Nevirapine-maleic acid
   262  (JSmol)              -216.5     -205.8       15.5   30.0   Nevirapine-Glutaric acid
   263  (JSmol)              -116.8     -112.4       16.3   12.4   Nevirapine hemikis(salicylic acid)
   264  (JSmol)              -352.6     -351.2       27.4   46.6   Oxalic acid dihydrate (OXACDH26)
   265  (JSmol)              -315.8     -314.6       27.5   28.3   Tartaric acid (TARTAC)
   266  (JSmol)  -303.8      -320.0     -327.7       19.5   27.4   Glucose (GLUCSA)
   267  (JSmol)              -315.0     -319.6       26.3   29.5   alpha-Lactose monohydrate (LACTOS10)
   268  (JSmol)  -302.5      -315.8     -326.7       27.6   29.8   beta-D-Fructose (FRUCTO11)
   269  (JSmol)              -308.1     -323.3       20.8   43.1   beta-D-Galactose (BDGLOS01)
   270  (JSmol)              -302.2     -299.1       15.7   15.0   XXI form 3 Gallic acid monohydrate
   271  (JSmol)              -313.0     -304.3       22.1   22.9   XXI form 4 Gallic acid monohydrate
   272  (JSmol)  -227.9      -195.8     -198.5       19.4   11.4   Pyromellitic dianhydride (PYMDAN)
   273  (JSmol)              -177.5     -186.6       12.7   11.3   Naphthalene pyromellitic dianhydride (NAPYMA12)
   274  (JSmol)              -476.2     -444.4       99.1   34.3   1,2,3-tris(trans-9-Octadecenoyl)glycerol (WISRAR)
   275  (JSmol)              -287.4     -268.0       40.1   31.9   Nitric acid trihydrate (HNO3 (H2O)3) (ICSD 1902)
   276  (JSmol)              -108.1     -108.0       18.0   29.8   3,5-Dinitro-4-methylbenzoic acid (NOMBEA01)
   277  (JSmol)              -271.2     -271.2       22.7   17.6   4,4'-Bipyridyl-racemic tartaric acid
   278  (JSmol)   -15.1       -17.2      -18.6       20.8   28.2   Trinitrotoluene (ZZZMUC01)
   279  (JSmol)              -384.6     -426.9       22.4   17.1   Lysine aspartate (LYSASP)
   280  (JSmol)              -407.2     -438.0       14.5   17.7   L-Lysine D-glutamate (JAVSII)
   281  (JSmol)               -99.9     -104.8       19.4   17.2   Bis(3,5-Dinitro-4-methylbenzoic acid) 1,2-bis(4-pyridyl)ethane (LAPTUS)
   282  (JSmol)              -388.8     -354.2       26.9   13.4   bis(Urea) oxalic acid (UROXAL01)
   283  (JSmol)              -410.8     -380.1       19.0   21.2   Succinic acid bis(urea) (VEJXAJ)
   284  (JSmol)              -265.8     -261.9       21.5   20.8   Theophylline phthalic acid
   285  (JSmol)              -293.3     -286.8       12.6   19.3   Malonic acid bis(isonicotinamide) (ULAWEJ)
   286  (JSmol)              -262.1     -255.2       17.8   17.1   Theophylline aspirin
   287  (JSmol)              -234.0     -218.7       22.5   15.3   tris(4,4'-Biphenol) bis(2-aminopyridine) (KEXBAR)
   288  (JSmol)    18.9        -2.1      -17.9        8.6   12.6   Cyclotrimethylene-trinitramine (RDX)
   289  (JSmol)              -260.0     -232.6       21.3   15.8   5-Nitrouracilate diphenylguanidinium dihydrate
   290  (JSmol)              -312.0     -271.8       10.9    7.8   Caffeine monohydrate (CAFINE01)
   291  (JSmol)              -409.7     -401.8       24.9   19.1   Dodecahydroxycyclohexane dihydrate (SANTEH)
   292  (JSmol)  -369.0      -376.2     -374.9       23.1   23.6   Citric acid (CITRAC10)
   293  (JSmol)              -362.5     -329.3       15.6   12.9   2-(4-pyridyl)malondialdehyde sesquihydrate (GIDLIP)
   294  (JSmol)   -52.1       -59.3      -62.3       19.0    8.4   Picric acid (PICRAC)
   295  (JSmol)              -490.8     -490.8       21.8   25.2   L-Lysyl-L-glutamic acid dihydrate (VEVGOS)
   296  (JSmol)              -438.6     -461.3       21.2   20.6   L-Histidinium L-aspartate monohydrate (LHLASP01)
   297  (JSmol)              -299.7     -300.7       20.1   12.8   Nevirapine rac-tartaric acid
   298  (JSmol)              -339.7     -334.0       15.6   18.1   1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane a-ketoglutaric acid (RIZWUS)
   299  (JSmol)              -371.0     -370.9       21.4   21.5   Bis(Pyridinium) oxalate oxalic acid (DEFCUM)
   300  (JSmol)              -408.1     -400.9       16.6   16.5   3-Carboxyphenylammonium hydrogen 2,3-pyrazinedicarboxylate dihydrate (ZIKREQ)
   301  (JSmol)              -380.1     -372.9       20.3   20.1   bis(4-(Dimethylamino)pyridinium) fumarate fumaric acid (GUKWIT)
   302  (JSmol)     9.8         3.6        2.1       16.6   18.0   2,4,6-Trinitro-N-methyl-N-nitroaniline (Tetryl) (MTNANL)
   303  (JSmol)              -466.4     -489.0       23.5   18.1   L-histidinium L-histidine hydrogen glutarate (ADAVUW)
   304  (JSmol)              -361.2     -378.1       16.2   15.5   Ammonium nitrate 18-crown-6 (QOBJAS)
   305  (JSmol)               -97.4     -118.0       10.8   15.1   Glycerol trinitrate (CORYIR)
   306  (JSmol)              -610.2     -569.1       16.6   10.9   Tetra-aqua-beryllium 4-oxo-4H-pyran-2,6-dicarboxylate (CICXOC)
   307  (JSmol)  -530.9      -552.1     -576.5       19.0   17.8   Sucrose (SUCROS01)
   308  (JSmol)              -561.4     -585.1       21.7   19.6   beta-Cellobiose (CELLOB04)
   309  (JSmol)              -500.5     -502.0       19.1   13.4   Aconitine (ACONTO10)
   310  (JSmol)               -43.9      -35.2       21.9   14.1   Nevirapine hemihydrate
   311  (JSmol)              -641.2     -642.4       12.7   14.7   beta-Maltose monohydrate (MALTOS11)
   312  (JSmol)              -563.3     -568.2       16.9   15.5   Dipyridinium bis(hydrogen-oxalate) oxalic acid (DUVLUB)
   313  (JSmol)              -658.0     -662.4       95.2   11.7   Valinomycin (CACYEK10)
   314  (JSmol)             -1122.8    -1024.7       22.5   17.5   Basic beryllium acetate (Be4O(OOCCH3)6) (BEOACT)
   315  (JSmol)              -543.9     -549.8       22.8   13.8   Rutin (KESFOD)
   316  (JSmol)             -1153.9    -1140.1       17.5   26.3   Tennis ball (ZIWSON)
   317  (JSmol)               -64.3      -66.0       44.2   44.3   Hydrogen fluoride (HF) (ICSD 1940)
   318  (JSmol)  -147.2      -168.4     -140.5       44.8    4.3   LiF
   319  (JSmol)  -110.9       -80.3      -69.7       49.1   58.8   Ammonium fluoride (NH4F)
   320  (JSmol)              -137.3     -137.1       47.8   14.1   p-Fluorobenzoic acid (PFBZAD01)
   321  (JSmol)     0.0       -17.4       -0.1       22.8   58.9   Fluorine (F2) (ICSD 16262) orthorhombic
   322  (JSmol)               -17.5       -0.1        5.0   57.9   Fluorine (F2) (ICSD 22271)
   323  (JSmol)  -245.4      -239.2     -219.4       37.6    7.3   Beryllium difluoride (BeF2)
   324  (JSmol)              -277.2     -272.4        7.0   30.3   Boron trifluoride (BF3) (ICSD 20904)
   325  (JSmol)  -323.6      -320.4     -312.2       21.5   23.8   Ammonia - boron trifluoride (NH3BF3) (ICSD 94885)
   326  (JSmol)              -169.6     -164.8       16.1   20.2   (S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (SOCLIF)
   327  (JSmol)  -543.4      -562.1     -497.5       36.7   31.1   Lithium tetrafluoroberyllate (Li2BeF4) (ICSD 37163)
   328  (JSmol)              -421.6     -387.7       19.4   17.6   Ethylenediammonium orthofluoroberyllate (KIPPEE)
   329  (JSmol)              -163.2        0.0       22.3   43.8   4,4'-Bis(perfluorostyryl)stilbene (QERWUF)
   330  (JSmol)              -250.9     -245.0       14.0   21.1   Hexafluorobenzene (HFBENZ02)
   331  (JSmol)              -233.9     -219.5       24.7   24.4   N,N-Dimethylaniline hexafluorobenzene (DMAFBZ01)
   332  (JSmol)              -793.3     -662.5       34.4   30.5   tris(Guanidinium) pyrofluoroberyllate (SEYHOT)
   333  (JSmol)     0.0        -1.4       -0.4        6.3   72.0   Neon (Ne) (ICSD 65894)
   334  (JSmol)     0.0        25.6       22.3       43.0   92.2   Sodium (Na) (ICSD 644901)
   335  (JSmol)   -45.9       -68.2       22.1       63.6   89.8   Sodium borohydride (NaBH4) (ICSD 1621293)
   336  (JSmol)     5.3       -14.5        0.3       36.7   14.8   Sodium acetylide (Na2C2) (ICSD 28066)
   337  (JSmol)               -49.2        7.1       33.8   80.9   Sodium amide (NaNH2) (ICSD 14007)
   338  (JSmol)   -21.7       -53.8      -56.4       35.0   21.3   Sodium cyanide (NaCN) (ICSD 77172)
   339  (JSmol)  -101.8       -91.1      -70.3       17.5   80.0   Sodium hydroxide (NaOH)
   340  (JSmol)  -233.5      -230.9     -250.3        8.1   47.9   Sodium metaborate (NaBO2) (ICSD 34645)
   341  (JSmol)  -111.8      -103.7     -163.4       30.1   36.9   Nitratine (NaNO3)
   342  (JSmol)              -279.6     -288.4       12.4   16.5   Sodium hydrogen acetate
   343  (JSmol)              -376.9     -356.7       23.8   78.6   Sodium Acetate Trihydrate (NAACET06)
   344  (JSmol)              -321.5     -339.6       16.3   19.0   (15-Crown-5)-(nitrato-O,O')-sodium (JAKCUT)
   345  (JSmol)              -665.3     -661.2       18.6   32.6   Sodium (nitrilotripropionato)-beryllium(ii) trihydrate (YOMHAJ)
   346  (JSmol)  -137.8      -134.6     -125.8        1.4   25.9   NaF
   347  (JSmol)  -220.0      -186.1     -184.9       54.0   51.8   Sodium hydrogen fluoride (NaHF2) (ICSD 415006)
   348  (JSmol)  -440.9      -453.0     -477.7       30.1   19.3   Sodium tetrafluoroborate (NaBF4) (ICSD 36067)
   349  (JSmol)   -99.0      -102.4      -59.1        2.1   49.7   Sodium oxide (Na2O) (ICSD 1102678)
   350  (JSmol)              -264.2     -308.9       19.8   39.3   Natrite (Na2CO3)
   351  (JSmol)              -323.7     -338.5       17.6   47.7   Thermonatrite (Na2CO3(H2O))
   352  (JSmol)              -301.3     -380.5       14.9   47.1   Natroxalate (Na2(C2O4))
   353  (JSmol)  -786.6      -789.3     -835.3        9.9   31.1   Sodium tetraborate (Na2B4O7) (ICSD 2040)
   354  (JSmol)              -464.7     -544.5       19.0   50.8   Warfarin (EFIWIZ01)
   355  (JSmol)             -1039.3     -748.4       27.0   64.7   Kernite (Na2B4O7 4(H2O))
   356  (JSmol)             -1490.8    -1431.7       16.7   82.1   Borax (Na2B4O7 10(H2O))
   357  (JSmol)              -613.7        -.-       22.7    -.-   Trona (NaHCO3) (Na2CO3) 2(H2O)
   358  (JSmol)     0.0       -15.4      -64.5        1.6   96.9   Magnesium (Mg) hcp (ICSD 76748)
   359  (JSmol)                 7.8       24.2       14.7    8.4   Magnesium acetylide (MgC2) (ICSD 88057)
   360  (JSmol)               -10.0       -6.1       14.1   14.7   Methyl-(tetramethyl-tetrazacyclotetradecane)-magnesium cyclopentadienide (FIZREM)
   361  (JSmol)               279.1      176.2       22.1   10.7   bis(4-Picoline-N)-tetraphenylporphyrinato-magnesium (CULXEM)
   362  (JSmol)  -143.7      -151.1     -103.0       67.6    9.2   Periclase (MgO)
   363  (JSmol)  -221.0      -235.6     -190.2       47.6   15.1   Brucite (Mg(OH)2)
   364  (JSmol)  -265.7      -267.0     -229.7       17.6    4.7   Magnesite (MgCO3)
   365  (JSmol)              -309.8     -270.5       26.9   29.5   Diethyl-magnesium 18-crown-6 clathrate (GIMNIZ)
   366  (JSmol)  -189.0      -152.2     -161.2       23.0   22.6   Magnesium nitrate (Mg(NO3)2) (ICSD 381463)
   367  (JSmol)              -633.3     -608.1       27.4   29.6   Lansfordite (MgCO3 5(H2O))
   368  (JSmol)              -921.0     -930.9       24.2   20.6   Hexa-aqua-magnesium dihydrogen ethylenediaminetetra-acetate (AQMEDA)
   369  (JSmol)  -268.7      -254.9     -256.0       47.1   43.1   Sellaite (MgF2)
   370  (JSmol)             -1278.8    -1263.3       20.2   22.5   tris(Hexafluoroacetylacetonato) magnesium 1-dimethylammonium-8-dimethylamino-naphthalene (NAFAMG10)
   371  (JSmol)              -339.1     -408.1        9.4   30.3   Neighborite (NaMgF3)
   372  (JSmol)             -1535.2    -1400.3       24.2   14.8   Hydromagnesite (Mg5(CO3)4(OH)2 4(H2O))
   373  (JSmol)     0.0         3.3       37.2       36.2   74.6   Aluminum (Al) (ICSD 64700)
   374  (JSmol)   -76.0       -76.6      -43.6       54.5    2.0   Aluminum nitride (AlN)
   375  (JSmol)                 1.0      -13.1       16.5   10.4   trans-bis(mu-2-2,2-Dimethylhydrazido)-bis(dimethyl-aluminium) (HIMZAE)
   376  (JSmol)               -70.2      -44.8       32.5   18.4   ((N-Methyl-N-(nitroso-O')-hydroxylamido-O)-dimethyl-aluminium-O')-trimethyl-aluminium (ALMEAL)
   377  (JSmol)              -234.9     -214.3       20.9   12.6   Diaspore (AlO(OH))
   378  (JSmol)  -284.1      -303.9     -261.5       34.2   10.8   Lithium aluminum oxide (LiAlO2) (ICSD 1400353)
   379  (JSmol)              -309.8     -275.7       20.0   10.9   Bayerite (Al(OH)3)
   380  (JSmol)              -307.6     -275.9       27.1   22.0   Gibbsite (Al(OH)3)
   381  (JSmol)              -116.2     -148.7       18.4   16.7   fac-tris(8-Hydroxyquinoline)-aluminium(iii) (WUFVAU01)
   382  (JSmol)              -109.9     -145.4       14.1   14.4   mer-tris(8-Hydroxyquinoline)-aluminium(iii) (QATMON)
   383  (JSmol)              -655.6     -691.8       18.3   20.2   Ammonium aluminum EDTA dihydrate (WUCFIJ)
   384  (JSmol)  -361.0      -353.1     -417.3       33.8   71.6   Aluminum trifluoride (AlF3)
   385  (JSmol)  -808.7      -833.4     -811.5        9.6   27.1   Lithium hexafluoroaluminate (Li3AlF6) (ICSD 34672)
   386  (JSmol)              -305.7     -298.0       18.7   28.3   Sodium aluminate (NaAlO2)
   387  (JSmol)              -444.5     -472.4       16.0   22.6   Dawsonite ((Na2O)(Al2O3)(CO2)2(H2O)2)
   388  (JSmol)  -792.8      -788.8     -882.4       11.4   20.1   Cryolite (Na3AlF6)
   389  (JSmol)  -400.7      -390.6     -375.1       25.4    7.6   Corundum (Al2O3)
   390  (JSmol)  -549.9      -569.5     -500.6       35.6   22.5   Chrysoberyl ((BeO)(Al2O3))
   391  (JSmol)             -1948.5    -1795.5        9.3   10.1   Mellite
   392  (JSmol)  -549.5      -566.3     -505.9       10.2    4.3   Spinel (MgAl2O4)
   393  (JSmol) -1812.0     -1802.4    -2033.3        2.5   27.6   Chiolite (Na5Al3F14) (ICSD 26419)
   394  (JSmol) -1344.0     -1384.7    -1228.7       33.1    8.0   Beryllium hexaaluminate (BeAl6O10) (ICSD 95408)
   395  (JSmol)     0.0       -10.1      -17.5       14.4   25.8   Silicon (Si)
   396  (JSmol)   -15.2       -25.0      -40.5       13.1    7.1   Moissanite (SiC)
   397  (JSmol)   -15.2       -26.0      -38.4       12.6    1.8   Silicon carbide (SiC)
   398  (JSmol)               -55.4      -39.4       29.1   31.4   Tetramethylsilane (TIVWOL)
   399  (JSmol)              -214.8     -195.4       12.9   24.6   Alpha Crystobalite (SiO2)
   400  (JSmol)  -217.7      -215.8     -192.3        6.5   20.7   Alpha quartz (SiO2)
   401  (JSmol)              -215.0     -195.3        5.2   24.0   Beta Tridymite (SiO2)
   402  (JSmol)              -215.8     -192.3        6.0   18.2   Beta quartz (SiO2)
   403  (JSmol)              -208.6     -192.7       15.9    9.9   Chabazite (SiO2)
   404  (JSmol)              -213.3     -191.0        4.8   17.1   Coesite (SiO2)
   405  (JSmol)              -182.0     -164.4        7.3   22.2   Stishovite (SiO2)
   406  (JSmol)  -394.2      -408.7     -346.9       15.7   37.5   Lithium silicate (Li2SiO3) (ICSD 853)
   407  (JSmol)  -506.0      -514.7     -348.8        5.9   23.1   Phenakite (Be2SiO4)
   408  (JSmol)              -935.3     -911.7        9.2   18.9   18-Crown-6 trans-tetrafluoro-diaqua-silicon dihydrate (YORRIG01)
   409  (JSmol)  -640.9      -614.2     -581.2       35.9   31.5   Ammonium hexafluorosilicate (2(NH4)SiF6) (ICSD 1120016)
   410  (JSmol)              -355.7     -385.2       25.0   44.0   Disodium silicate (Na2SiO3) (ICSD 74640)
   411  (JSmol)              -923.4     -890.6       22.5   30.0   Chesnokovite (Na2[SiO2(OH)2] 8(H2O))
   412  (JSmol)  -695.4      -679.5     -773.3       14.0   19.6   Sodium hexafluorosilicate (Na2SiF6) (ICSD 16598)
   413  (JSmol)  -370.2      -368.8     -331.2       16.0   15.5   Enstatite (MgSiO3)
   414  (JSmol)  -370.2      -378.2     -336.2       12.2   10.0   Perovskite (MgSiO3)
   415  (JSmol)  -519.6      -535.3     -461.8       20.7    6.3   Forsterite (Mg2SiO4)
   416  (JSmol)              -605.0     -571.6       18.8   17.8   Euclase ((BeO)2(Al2O3)(SiO2)2(H2O))
   417  (JSmol)  -619.5      -613.6     -690.7       22.7   44.6   Andalusite (Al2SiO5)
   418  (JSmol)  -620.1      -608.4     -714.1       23.5   37.4   Kyanite (Al2SiO5)
   419  (JSmol)  -583.7      -626.3     -714.3       16.8   48.6   Sillimanite (Al2SiO5)
   420  (JSmol)              -728.3     -855.8       11.6   41.7   Topaz (Al2SiO4F2)
   421  (JSmol)              -105.8     -100.3       36.3   81.7   Disilyl ether ((SiH3)2O)
   422  (JSmol)  -612.1      -625.2     -541.3       15.5   34.1   Li2Si2O5
   423  (JSmol)             -1096.0     -821.7        6.2   20.0   Bertrandite ((BeO)4(SiO2)2(H2O)
   424  (JSmol)              -730.5     -710.4       22.3   62.5   Kanemite (Na2O)(SiO2)4(H2O)7
   425  (JSmol)              -989.4     -915.2        9.1   12.6   Lizardite (Mg3Si2O5 (OH)4)
   426  (JSmol)              -643.0     -666.4       12.0   41.3   Illite ((Al2O3)2 (SiO2)8 (H2O)2)
   427  (JSmol)              -648.3     -644.5       18.6   38.9   Pyrophyllite (AlSi2O5(OH))
   428  (JSmol)              -723.9     -722.3       13.7   58.7   Spodumene ((LiAl(SiO3)2)
   429  (JSmol)              -693.8     -789.5       32.5   33.1   Jadeite ((Na2O)(Al2O3)(SiO2)2)
   430  (JSmol)              -949.4     -939.2       11.8   24.1   Dickite ((Al2O3)(SiO2)2(H2O)2)
   431  (JSmol)              -949.8     -937.0        9.9   29.9   Kaolinite ((Al2O3)(SiO2)2(H2O)2)
   432  (JSmol)              -949.6     -938.9       11.9   26.4   Nacrite ((Al2O3)(SiO2)2(H2O)2)
   433  (JSmol)              -942.2     -978.6       15.0   20.5   Albite ((NaAl)(Si3O8)
   434  (JSmol)             -1595.4    -1502.8        5.2    6.0   Pyrope ((Al2O3)(MgO)3(SiO2)3)
   435  (JSmol)             -1706.2    -1679.0       20.2   49.0   Yegorovite (Na4[Si4O8(OH)4] 7(H2O))
   436  (JSmol)             -1344.6    -1245.7        9.3   16.9   Talc (MgO)3(SiO2)4(H2O)
   437  (JSmol)             -1335.3    -1246.8        7.4   13.8   Vermiculite (Mg3Si4O10(OH)2)
   438  (JSmol)             -1177.7    -1100.0       18.7   14.9   Petalite (LiAlSi4O10)
   439  (JSmol)             -2287.3    -2259.5        8.0   38.4   Cordierite (Mg2Al4Si5O18)
   440  (JSmol)             -2184.3    -1904.5       10.4   12.1   Beryl ((Al2O3)(BeO)3(SiO2)6)
   441  (JSmol)             -2228.7    -2064.2       10.6   19.4   Aquamarine ((NaOH)(Al2O3)(BeO)3(SiO2)6)
   442  (JSmol)             -1372.2    -1267.8        7.8   70.6   Si8H8O12 (ICSD 75244)
   443  (JSmol)             -2817.5    -2589.0       10.8   17.8   Cummingtonite ((MgO)7(SiO2)8(H2O))
   444  (JSmol)            -10415.4    -9897.4       10.1   12.5   Mordenite (AlNaO2)(SiO2)11)
   445  (JSmol)    -9.4       -62.5      -20.2       62.7   26.9   Phosphorus, black (P) (ICSD 36438)
   446  (JSmol)     0.0        -3.2        1.5       33.0   24.5   Phosphorus, white (P) (ICSD 406793)
   447  (JSmol)               -23.4      -21.6       52.9   30.0   Tetramethyldiphosphane (KAKGEI)
   448  (JSmol)                 1.0        0.0       20.3   21.4   1,8-bis(tris(Dimethylamino)phosphoranylideneamino)naphthalene
   449  (JSmol)               -70.2      -82.9       11.8   18.8   Tetramethyl-tetra-aza-diphosphabicyclooctane-3,7-dione (BAMWUH)
   450  (JSmol)              -297.4     -267.8       24.7   34.0   catena-Lithium phosphate (LiPO3) (ICSD 1121553)
   451  (JSmol)  -500.9      -471.0     -419.3       28.5   38.6   Lithiophosphate (Li3PO4)
   452  (JSmol)  -307.0      -289.0     -287.5       16.0   33.9   Phosphoric acid (H3PO4)
   453  (JSmol)  -273.7      -336.6     -341.2       27.5   17.2   Ammonium dihydrogenphosphate (NH4 H2PO4)
   454  (JSmol)  -374.5      -355.3     -387.1       28.9   35.0   Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
   455  (JSmol)              -370.3     -363.5       28.3   36.1   N(Me)4H2PO4 H2O (FIJHEL)
   456  (JSmol)              -416.7     -428.0       25.0   23.5   DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
   457  (JSmol)              -766.5     -628.2       41.2   17.3   H5Be2PO7 (ICSD 1710400)
   458  (JSmol)              -510.4     -485.8        9.2   15.4   Phosphatidylcholine (LYPCHL)
   459  (JSmol)              -532.5     -521.9       21.2   19.7   Adenosine-3'-phosphate dihydrate (ADPOSD)
   460  (JSmol)              -382.8     -386.3       32.6    7.2   Phosphorus pentafluoride (PF5)
   461  (JSmol)              -562.1     -534.9       25.6   28.0   Lithium hexafluorophosphate (LiPF6) (ICSD 74830)
   462  (JSmol)              -363.9     -348.4       40.1   11.6   tetrakis(Trifluoromethyl)diphosphane (HIRCEQ)
   463  (JSmol)              -714.2     -707.4       14.4   20.1   (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
   464  (JSmol)              -742.2     -745.1       14.1   17.5   (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
   465  (JSmol)              -309.9     -336.0       36.4   34.7   Sodium phosphate (NaPO3) (ICSD 34693)
   466  (JSmol)              -455.1     -489.0       57.2   34.9   Lithium disodium phosphate (LiNa2PO4) (ICSD 69967)
   467  (JSmol)              -353.9     -379.1       24.9   56.5   Sodium tetrametaphosphate (NaH2PO4)
   468  (JSmol)              -668.4     -639.7       27.8   49.2   Stercorite (Na(NH4)HPO4 4(H2O))
   469  (JSmol)              -551.3     -601.4       52.6   12.6   Sodium hexafluorophosphate (NaPF6) (ICSD 1408764)
   470  (JSmol)  -417.8      -418.1     -447.1       37.0   43.9   Sodium Hydrogen Phosphate (Na2HPO4)
   471  (JSmol)  -417.8      -417.2     -444.9       35.3   39.4   Sodium hydrogen phosphate (Na2HPO4) (ICSD 81304)
   472  (JSmol)              -538.5     -530.9       41.9   53.2   Dorfmanite (Na2HPO4 2(H2O))
   473  (JSmol)              -835.5        -.-        9.1    -.-   Disodium hydrogen orthophosphate heptahydrate (H15Na2O11P)
   474  (JSmol)              -480.8     -509.0       16.5   44.5   Sodium phosphate (Na3PO4) (ICSD 33718)
   475  (JSmol)              -590.0     -561.9       22.2   12.1   Newberyite (MgHPO4 3(H2O))
   476  (JSmol)              -587.6     -495.1       25.4   11.9   Wagnerite (Mg2PO4F)
   477  (JSmol)   -39.8       -74.8      -29.0       15.5    4.4   Aluminum phosphide (AlP)
   478  (JSmol)  -414.4      -391.6     -513.4       14.1   71.5   Berlinite (AlPO4)
   479  (JSmol)  -414.4      -379.8     -402.4        8.3   26.9   Sodalite (AlPO4)
   480  (JSmol)              -526.1     -572.8       22.7   31.2   Variscite (AlPO4(H2O)2)
   481  (JSmol)              -592.3     -550.5       18.0   38.3   Magnesium aluminum phosphate oxide (beta'') (MgAlPO4 O) (ICSD 1102532)
   482  (JSmol)  -359.7      -388.2     -412.5       47.3   53.5   Phosphorus(v) pentoxide (P2O5) (ICSD 82688)
   483  (JSmol)              -631.6     -512.1       59.1   21.1   Beryllium catena-phosphate (BeP2O6) (ICSD 100404)
   484  (JSmol)              -649.9     -638.0       13.3   30.3   Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
   485  (JSmol)              -928.1     -929.7       10.2   12.1   tris(Hydroxymethyl)-methylammonium adenosine-5'-diphosphate dihydrate (HMADPH)
   486  (JSmol)             -1037.3    -1020.1       14.4   17.5   Nicotinamide adenine dinucleotide tetrahydrate (CEVYEH11)
   487  (JSmol)              -799.7     -900.1       38.3   68.7   Sodium phosphate (Na4P2O7) (ICSD 10370)
   488  (JSmol)              -804.5     -751.3       27.4   39.9   Magnesium hypophosphite hydrate (Mg(H2PO2)2 6(H2O))
   489  (JSmol)             -1034.7     -943.5       20.1   25.0   tetrakis(Urea) bis(dihydrogen phosphate) magnesium (BORTAD)
   490  (JSmol)              -827.8     -878.9       17.5   30.1   catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
   491  (JSmol)  -895.1      -865.1     -701.6       27.2   14.5   Farringtonite (Mg3(PO4)2)
   492  (JSmol)             -1399.8    -1296.4       23.5   11.0   Bobierrite Mg3(PO4)2(H2O)8
   493  (JSmol)             -2394.7    -2311.0       28.2   31.2   Magnesium phosphate hydrate (Mg3(PO4)2 22(H2O))
   494  (JSmol)             -1776.6    -1492.6       18.8   13.2   Raadeite (Mg7(PO4)2(OH)8)
   495  (JSmol)             -1217.6    -1352.9       28.8   12.9   Brazilianite (NaAl3(PO4)2(OH)4)
   496  (JSmol)               -25.9      -39.8       21.2   19.2   4-Methyl-triphosphatricycloheptane (FATYUU)
   497  (JSmol)              -472.2     -527.0       29.4   21.6   (1-(tris(dimethylamino)phosphoranylideneammonium)-8-(tris(dimethylamino)phosphoranylideneamino)naphthalene) hexafluorophosphate (SAXLAF)
   498  (JSmol)              -815.2    -1141.2       37.8   63.7   Sodium trimetaphosphate (Na2HP3O9)
   499  (JSmol)             -1124.2    -1197.3       19.8   29.4   Disodium adenosine-triphosphate trihydrate (ADENTP)
   500  (JSmol)               -52.8      -68.1       31.0   25.9   Tetraphosphabicyclooctane (XEYZEG)
   501  (JSmol)              -457.7     -410.7       11.8   23.7   Phosphorus(iii) trioxide (P4O6) (ICSD 24407)
   502  (JSmol)  -719.4      -688.4     -783.3       18.7   61.9   Phosphorus(v) pentoxide (P4O10) (ICSD 40865)
   503  (JSmol)             -1507.7    -1383.9       29.3   29.1   Tetralithium Tetrametaphosphate Pentahydrate (Li4P4O12 5(H2O))
   504  (JSmol)             -1961.2    -1638.0       51.1   20.4   catena-(Hexane-1,6-diammonium bis(mu-4-phosphato)-bis(mu-3-hydrogen phosphato)-bis(hydroxy)-tetra-beryllium monohydrate) (ACOKUZ)
   505  (JSmol)             -1359.4        -.-       40.6    -.-   NaPO3 H2O
   506  (JSmol)             -1374.7    -1561.6       38.4   80.2   Sodium cyclooctaphosphate hexahydrate (Na8P8O24 6(H2O))
   507  (JSmol)              -141.1      -36.9       25.7   33.6   bis(2,6-bis((Dimethylphosphino)methyl)phenyl)-magnesium benzene solvate (YESVIB)
   508  (JSmol)             -1772.7    -1690.0       33.0   32.1   Mg5Na2P4O16
   509  (JSmol)             -1750.1    -1592.9       33.9   25.5   Hexa(lithium phosphate) (Li6(P6O18)) (ICSD 1414858)
   510  (JSmol)             -1735.5    -1597.5       28.8   33.0   Lithium cyclohexaphosphate (Li6(P6O18))
   511  (JSmol)   -56.0       -63.7      -59.6        2.5    5.7   Beryllium sulfide (BeS) (ICSD 616412)
   512  (JSmol)  -105.5      -106.2     -131.6        3.5    0.7   Lithium sulfide (Li2S) (ICSD 642291)
   513  (JSmol)                -1.0       -2.9        9.9   20.8   II (GUFJOG)
   514  (JSmol)  -138.0      -137.8     -149.8       19.4   29.9   Methionine (LMETON02)
   515  (JSmol)               -69.1      -65.0       26.5   16.3   VI (UJIRIO01)
   516  (JSmol)                38.6       36.1       15.2   17.7   ROY (QAXMEH)
   517  (JSmol)                41.6       40.6       10.3   11.9   ROY (QAXMEH01)
   518  (JSmol)                37.3       38.5       17.3   13.3   ROY (QAXMEH02)
   519  (JSmol)                39.6       38.2       12.5   16.3   ROY (QAXMEH03)
   520  (JSmol)                38.6       36.8       17.9   19.1   ROY (QAXMEH04)
   521  (JSmol)                44.0       41.2       13.6   11.8   ROY (QAXMEH05)
   522  (JSmol)                40.9       40.2       13.6   16.7   ROY (QAXMEH12)
   523  (JSmol)  -108.6      -128.6     -123.3       23.1   20.2   Sulfur trioxide (SO3) (ICSD 654094)
   524  (JSmol)              -184.7     -189.1       16.0   21.3   Taurine (TAURIN05)
   525  (JSmol)              -116.3     -116.0       22.1   11.7   Saccharin
   526  (JSmol)  -287.0      -303.1     -288.0        5.3   25.3   Beryllium sulfate (BeSO4) (ICSD 44801)
   527  (JSmol)  -343.3      -352.5     -323.8       13.2   24.6   Lithium sulfate (Li2SO4) (ICSD 23723)
   528  (JSmol)              -259.4     -250.2       14.8   24.1   Lithium naphthalene sulfonate
   529  (JSmol)  -282.2      -303.8     -313.6       26.6   29.1   Ammonium sulfate (2(NH4)SO4)
   530  (JSmol)  -282.2      -317.6     -314.6       27.0   21.4   Mascagnite ((NH4)2SO4)
   531  (JSmol)              -130.2     -126.8       17.4   16.0   Piroxicam (BIYSEH06)
   532  (JSmol)              -135.2     -125.2       16.4   23.8   5H-dibenz(b,f)azepine-5-carboxamide saccharin solvate (UNEZAO)
   533  (JSmol)              -125.1     -124.3        5.7    4.8   Carbamazepine Saccharin
   534  (JSmol)              -138.4     -121.1       19.0   20.0   Sildenafil
   535  (JSmol)              -413.4     -387.8       15.6   18.5   Lithium sulfate hydrate (Li2SO4 H2O) (ICSD 201531)
   536  (JSmol)              -284.9     -271.3       32.6   28.2   Sulfuric acid hydrate (H2SO4 (H2O)) (ICSD 1413417)
   537  (JSmol)              -239.8     -209.1        8.8   15.3   1-Dimethylamino-8-dimethylammonionaphthalene saccharin dihydrate (AJOHUC)
   538  (JSmol)              -196.4     -180.5       17.8   26.3   Sildenafil dioxane
   539  (JSmol)               -92.0      -83.3       16.1   12.8   Nevirapine hemikis(saccharin)
   540  (JSmol)              -268.1     -255.2       18.6   20.5   Sildenafil suberate
   541  (JSmol)              -286.4     -283.0       19.2   16.8   Sildenafil salicylate
   542  (JSmol)              -579.1     -527.5       18.8   12.6   Beryllium sulfate tetrahydrate (BeSO4 4(H2O)) (ICSD 23218)
   543  (JSmol)              -516.8     -465.8       22.3   11.4   Sulfuric acid tetrahydrate (H2SO4 4(H2O)) (ICSD 2783)
   544  (JSmol)              -295.3     -289.9       15.0    8.0   Berberine sulfate (CISREB)
   545  (JSmol)              -432.1     -433.3       11.9   12.9   18-Crown-6 aminosulfuric acid clathrate (SOVJOC)
   546  (JSmol)              -569.7     -523.2       16.2   22.0   Sildenafil hydrogen fumarate trihydrate
   547  (JSmol)              -297.4     -306.6       12.3   26.0   Sulfur hexafluoride (SF6) (ICSD 63332)
   548  (JSmol)              -280.0     -296.8       24.6   36.9   Sodium sulfite (Na2SO3) (ICSD 1400216)
   549  (JSmol)  -331.6      -331.4     -379.3        9.4   38.8   Thenardite (Na2SO4) (ICSD 2895)
   550  (JSmol)   -82.7       -84.8      -49.2       41.6   46.1   Niningerite (MgS)
   551  (JSmol)  -301.6      -286.5     -266.5        8.9   14.1   Magnesium sulfate (MgSO4) (ICSD 16759)
   552  (JSmol)              -746.4     -701.0       30.2   29.1   Hexahydrite (MgSO4 6(H2O))
   553  (JSmol)              -826.6     -766.1       25.9   24.1   Epsomite (MgSO4 (H2O)7)
   554  (JSmol)             -1306.3    -1248.3       26.5   23.9   Sulfoborite (Mg3SO4(B(OH)4)2(OH)F)
   555  (JSmol)             -1200.4    -1068.9       26.6   31.4   Aluminite (Al2SO6 9(H2O))
   556  (JSmol)               -37.8      -60.6        8.3   12.0   Tetramethyl diphosphine disulfide (TMDPDS)
   557  (JSmol)              -460.6     -466.6       16.2   26.1   4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
   558  (JSmol)                41.3       38.6        8.4    8.1   2,2'-Dithenyl (DTENYL)
   559  (JSmol)                 9.7       10.8        6.9   15.9   3,3'-Dithienyl ketone (DTHKET)
   560  (JSmol)               -20.7      -17.2        6.5    6.8   Tetrathiafulvalenium 1 4 9 10-anthracenetetronide (YEVXIG)
   561  (JSmol)  -264.1      -248.8     -292.9       12.3   13.8   Cystine (LCYSTI10)
   562  (JSmol)              -128.3     -133.3       15.2   19.1   XX Benzyl-(4-(4-methyl-5-(p-tolylsulfonyl)-1,3-thiazol-2-yl)phenyl)carbamate
   563  (JSmol)              -141.2     -125.5       17.4   15.8   iso-Sildenafil
   564  (JSmol)              -487.3     -489.4       24.9   16.3   Sildenafil hemikis(oxalate)
   565  (JSmol)              -561.7     -583.9       19.5   23.2   18-Crown-6 tetra-aqua-bis(isothiocyanato)-magnesium (FUYCAD)
   566  (JSmol)              -908.2     -872.4       21.6   20.5   tris(Hexaaqua-magnesium) benzenehexa(methylsulfonate) tris(1,4-dioxane) clathrate (UMANOL)
   567  (JSmol)             -1339.9    -1273.9       28.3   35.9   Sodium magnesium sulfate decahydrate
   568  (JSmol)             -1491.3    -1354.6       20.4   29.4   Ammonium aluminum sulfate ((NH4)Al(SO4)2 (12(H2O))
   569  (JSmol)             -1460.8    -1311.4       24.0   33.3   Sodium alum (NaAl(SO4)2 12(H2O))
   570  (JSmol)   -57.5       -63.8      -73.0       29.0   19.7   Boron sulfide (B2S3) (ICSD 653676)
   571  (JSmol)                51.3       50.2       15.9   13.6   XIV N-(Dimethylthiocarbamoyl)benzothiazole-2-thione
   572  (JSmol)              -886.2     -827.9       10.7   13.6   Aluminum sulfate (Al2(SO4)3) (ICSD 73249)
   573  (JSmol)   -37.0       -41.3     -116.8       27.5   18.6   Phosphorus sulfide (P4S3) (ICSD 417154)
   574  (JSmol)               -63.4     -117.1       40.3   16.9   Trithia-tetraphosphatricycloheptane (ZEGSUZ01)
   575  (JSmol)              -710.4     -696.3       14.1   14.9   tetrakis(Piroxicam) fumaric acid clathrate (DIKDIL)
   576  (JSmol)             -2383.6    -2235.0        6.6    9.2   Oxytocin 1XY10001
   577  (JSmol)             -1279.8    -1476.0        7.3   34.1   Vanthoffite (MgNa6 (SO4)4)
   578  (JSmol)             -2710.6    -2477.7       13.7   23.0   Pickeringite (MgAl2(SO4)4 22(H2O))
   579  (JSmol)     0.0        -0.2        2.2        7.7   11.1   Sulfur (S)
   580  (JSmol)              -592.9     -586.1       16.8   16.2   Sildenafil citrate monohydrate
   581  (JSmol)               -33.1      -32.0       27.0   19.9   Boron chloride (B8Cl8) (ICSD 43258)
   582  (JSmol)   -97.7      -105.8     -110.1       19.8    5.2   LiCl
   583  (JSmol)               -54.3      -45.2       32.8   25.9   (Cyclopentadienyl)-chloro-beryllium (JEFKIO)
   584  (JSmol)   -75.1       -91.0      -73.9       27.4   21.5   Ammonium chloride (NH4Cl)
   585  (JSmol)               -14.0       -5.0       21.4   14.0   p-Chloroaniline (CLANIC05)
   586  (JSmol)   -47.1       -71.9      -63.4       26.0   24.3   Hydrazinium chloride (N2H5Cl) (ICSD 65334)
   587  (JSmol)              -188.4     -178.3       57.1   54.0   Hydrogen chloride dihydrate (ICSD 15353)
   588  (JSmol)              -132.7     -127.2       33.6   28.2   Monochloroacetic acid (CLACET02)
   589  (JSmol)              -108.4     -101.7       48.4   15.0   p-Chlorobenzoic acid (CLBZAP03)
   590  (JSmol)               -90.3      -89.2       18.3   11.4   N-Chlorosuccinimide (CSUCIM)
   591  (JSmol)              -164.3     -146.1       30.1   27.9   Acetylcholine (ACHOLC01)
   592  (JSmol)              -184.7     -162.1        8.0   10.6   N-Methylacetamide hemihydrochloride -NH-COH- (BOZGAY)
   593  (JSmol)              -159.7     -161.3       15.2   27.6   N-Methylacetamide hemihydrochloride -NH2-CO- (BOZGAY)
   594  (JSmol)              -147.2     -150.5       20.3   20.2   Tryptophan (TRYPTC)
   595  (JSmol)              -250.3     -201.4       11.2    7.4   Caprinolactam hemihydrochloride -NH-COH- (CAPINC)
   596  (JSmol)              -234.5     -196.6        8.1   22.0   Caprinolactam hemihydrochloride -NH2-CO- (CAPINC)
   597  (JSmol)               -87.6      -84.9       24.8   17.3   1 4 dioxocine 6-carboxylic acid chloride (CUWWIA)
   598  (JSmol)              -163.8     -166.8       16.9   11.6   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH-COH- (DIDVER)
   599  (JSmol)              -151.0     -170.9       24.0   10.3   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH2-CO- (DIDVER)
   600  (JSmol)   -91.0      -137.8     -116.3       36.6   46.7   Lithium perchlorate (LiClO4) (ICSD 413238)
   601  (JSmol)   -54.9      -123.9     -104.7       31.2   46.2   Ammonium perchlorate (NH4ClO4) (ICSD 40382)
   602  (JSmol)              -172.3     -163.1       20.0   10.4   Indomethacin
   603  (JSmol)              -365.1     -350.0       17.1   13.7   L-Lysine monohydrochloride dihydrate (LYSCLH)
   604  (JSmol)              -144.1     -134.5       50.1   60.1   Oxonium perchlorate (H3O(+) ClO4(-)) (ICSD 23866)
   605  (JSmol)              -213.3     -195.6       11.8    5.1   Indomethacin nicotinamide
   606  (JSmol)              -484.3     -437.8       50.9   57.7   Hydrogen chloride hexahydrate (H9O4(+) Cl(-) 2(H2O)) (ICSD 2235)
   607  (JSmol)              -249.7     -229.2       18.4   12.5   Indometacine caffeine
   608  (JSmol)              -290.3     -261.6       37.1   37.3   Perchloric acid trihydrate (HClO4 (H2O)3) (ICSD 27248)
   609  (JSmol)              -367.8     -341.1       18.5   10.7   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH-COH- (WEDDOZ)
   610  (JSmol)              -359.5     -372.1       16.3   10.2   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH2-CO- (WEDDOZ)
   611  (JSmol)              -381.1     -375.9       17.7   17.7   Indomethacin L-proline
   612  (JSmol)              -400.9     -380.6       25.6   28.9   Methyl (+-)-(1a,2b,8a,9a,10b)-2-chloro-4-aza-3-oxatetracyclo(8.4.0.02,9.04,8)tetradecane-9-carboxylate oxalic acid monohydrate (HUZKOC)
   613  (JSmol)              -336.1     -331.1       21.1   15.6   Fluoxetine hydrochloride benzoic acid
   614  (JSmol)   -98.3      -101.3      -90.7        3.8   37.9   Halite (NaCl)
   615  (JSmol)              -138.3     -175.3       21.3   22.5   Sodium chlorate (NaClO3) (ICSD 1117)
   616  (JSmol)   -91.6      -122.5     -202.7       39.2   34.0   Sodium perchlorate (NaClO4) (ICSD 1409185)
   617  (JSmol)              -327.6     -323.6       14.2   32.7   (15-Crown-5)-(perchlorato-O,O')-sodium (KAPDUA)
   618  (JSmol)             -1695.7    -1563.4       10.4    2.5   Boracite (MgO)5(MgCl2)(B2O3)7
   619  (JSmol)              -106.4     -116.0       30.2   28.9   (Tetra-azacyclotetradecane)-dichloro-diethyl-di-aluminium (JAXTUX)
   620  (JSmol)             -1648.1    -1787.2       18.8    5.1   Sodalite ((Na2O)3(NaCl)2(Al2O3)3(SiO2)6)
   621  (JSmol)              -173.6     -158.9       30.8   30.3   Tetramethylphosphonium chloride monohydrate (MIYHEH)
   622  (JSmol)               -85.9      -82.6       20.0   16.4   XVIII (1-((4-Chlorophenyl)sulfonyl)-2-oxopropylidene)diazenium
   623  (JSmol)              -356.7     -293.7       23.3   24.2   Methylene blue (MAPAZT10)
   624  (JSmol)              -291.6     -285.5       17.5   15.8   Indomethacin saccharin
   625  (JSmol)  -117.1      -113.3     -115.9       33.5   12.5   Beryllium dichloride (BeCl2)
   626  (JSmol)                -8.2       -3.2       40.5   35.8   Chlorine (Cl2) (ICSD 24653)
   627  (JSmol)                 5.7       24.6       30.0   10.7   o-Tetrachlorodicyanobenzene (BAWMUH01)
   628  (JSmol)              -127.4     -111.2       25.0   12.7   bis(Acetonitrile) beryllium chloride (MECYBC)
   629  (JSmol)              -121.8      -83.1       26.1   16.7   Chloro-tris(1,3-dimethylimidazolin-2-ylidene)-beryllium chloride (ZEZYEI)
   630  (JSmol)               -46.4      -33.3       23.2   16.1   Tetrachloro-p-benzoquinone (TCBENQ07)
   631  (JSmol)              -288.1     -251.3       16.7   11.5   Beryllium chloride diethyl ether solvate (ETBECL)
   632  (JSmol)              -446.8     -410.2       52.7   56.5   Beryllium dichloride tetrahydrate (BeCl2 4(H2O)) ICSD 417642)
   633  (JSmol)              -207.0     -191.8       15.6    4.1   Aceclofenac
   634  (JSmol)               -36.9      -18.4       23.7   14.7   XVII 1,2-Dichloro-4,5-dinitrobenzene
   635  (JSmol)              -267.4     -251.6       20.2   14.3   Aceclofenac cytosine
   636  (JSmol)              -426.1     -391.6       19.5   12.0   Indomethacin Lidocaine
   637  (JSmol)              -685.2     -679.3       22.1   16.6   Fluoxetine hydrochloride fumaric acid
   638  (JSmol)              -716.8     -713.0       20.8   15.8   Fluoxetine hydrochloride succinic acid
   639  (JSmol)              -247.9     -237.4       26.0   17.8   Fluoxetine hydrochloride
   640  (JSmol)  -153.3      -171.4     -156.6       30.5   25.8   Chloromagnesite (MgCl2)
   641  (JSmol)  -597.3      -606.9     -582.1       36.5   41.8   Magnesium dichloride hexahydrate (MgCl2 6(H2O)) (ICSD 47161)
   642  (JSmol)              -569.1     -531.9       39.4   40.8   Hexa(ethanolato-O)-magnesium dichloride (JADJED)
   643  (JSmol)              -455.2     -430.3       22.7   18.3   Aqua-chloro-(15-crown-5)-magnesium chloride acetonitrile solvate (YAFYEJ)
   644  (JSmol)               -90.7      -68.6       40.1   71.3   Silicon(ii) chloride (SiCl2)
   645  (JSmol)               -16.7       -5.7       12.9   35.7   Sulfur dichloride (SCl2) (ICSD 38351)
   646  (JSmol)              -112.1      -96.9       26.9   20.7   Boron trichloride (BCl3) (ICSD 27869)
   647  (JSmol)              -156.8     -147.0       25.1   14.3   Chloral hydrate (CHORLH01)
   648  (JSmol)  -168.3      -162.3     -133.7       37.0   40.3   Aluminum trichloride (AlCl3)
   649  (JSmol)               -95.0      -79.1       29.8   26.2   Phosphorus trichloride (PCl3)
   650  (JSmol)               -90.9      -69.8       23.5   17.9   B4Cl4 (ICSD 27872)
   651  (JSmol)              -443.9     -440.8       24.9   15.3   Aceclofenac hemikis(piperazine)
   652  (JSmol)              -598.7     -587.2       22.4   16.3   Aceclofenac hemikis(piperazine) hydrate
   653  (JSmol)              -521.4     -465.8       24.9   13.0   Aceclofenac hemikis(bipyridine) hydrate
   654  (JSmol)  -106.0      -110.2      -96.1       32.5   20.5   Phosphorus pentachloride (PCl5)
   655  (JSmol)              -242.1     -196.2       36.6   15.9   2,4,4,6,6-Pentachloro-2-(piperidyl)cyclotriphosphazene (POTKEO)
   656  (JSmol)   -33.9       -68.1      -24.0       60.3   21.8   Hexachlorobenzene (HCLBNZ13)
   657  (JSmol)              -549.4     -483.9       24.9    7.5   Tetrachlorophthalic acid hemihydrate (TCLPHA)
   658  (JSmol)              -715.8     -662.1       24.9   22.3   [H(CH3OH)3(+)][CHB11Cl11(-)]
   659  (JSmol)              -734.9     -671.5       25.7   24.9   [H7O3(+)][CHB11Cl11(-)]
   660  (JSmol)              -808.8     -739.6       26.1   20.8   [H9O4(+)][CHB11Cl11(-)]
   661  (JSmol)     0.0        -0.5       -0.8       28.9   25.8   Argon (Ar) (ICSD 77918)
   662  (JSmol)     0.0        21.5       -7.7        0.0   74.9   Potassium (K) (ICSD 44670)
   663  (JSmol)                12.0      -20.6       36.7   26.6   Potassium acetylide (K2C2) (ICSD 89528)
   664  (JSmol)   -54.3       -42.6        1.9       38.1   78.8   Potassium borohydride (KBH4) (ICSD 99264)
   665  (JSmol)   -30.8       -12.0      -29.2       42.1   47.5   Potassium amide (KNH2) (ICSD 24519)
   666  (JSmol)   -24.9        -7.3      -76.3       21.7   17.1   Potassium cyanide (KCN) (ICSD 27350)
   667  (JSmol)               -87.3      -86.7       43.2   59.6   Potassium deuteriooxide (KOH) (ICSD 65163)
   668  (JSmol)  -162.4      -146.1     -163.3       17.6   12.9   Potassium formate (POTFRM)
   669  (JSmol)              -162.9     -148.9       35.0   89.7   Potassium hydroxide hydrate (KOH (H2O)) (ICSD 47114)
   670  (JSmol)              -162.6     -143.4       36.6   86.7   Potassium hydroxide hydrate (KOH H2O) (ICSD 1706151)
   671  (JSmol)  -234.6      -218.4     -254.0       11.6   10.4   Potassium metaborate KBO2) (ICSD 1000173)
   672  (JSmol)   -88.4       -78.2     -129.5       22.0   41.6   Potassium nitrite (KNO2) (ICSD 1906878)
   673  (JSmol)   -88.4       -76.8     -129.6       71.7   71.8   Potassium nitrite (KNO2) (ICSD 36202)
   674  (JSmol)               -78.2     -130.8       22.1   45.8   Potassium nitrite (KNO2) (ICSD 86117)
   675  (JSmol)  -230.2      -211.8     -240.1       25.2   58.8   Kalicinite (KHCO3)
   676  (JSmol)              -135.7     -185.9       20.8   37.7   catena-((mu-8-Rhodizonato)-di-potassium) (ZZZHDA01)
   677  (JSmol)  -118.2       -99.1     -144.4       27.0   41.4   Niter (KNO3)
   678  (JSmol)              -282.5     -288.5       20.1   23.2   Potassium hydrogen acetate
   679  (JSmol)              -400.2     -338.9       26.5   69.0   Potassium hydroxide tetrahydrate (KOH 4(H2O)) (ICSD 36598)
   680  (JSmol)  -135.6      -142.1     -188.0       17.6   29.2   KF
   681  (JSmol)  -221.0      -198.6     -227.8       35.8   21.7   Potassium hydrogen fluoride (KHF2) (ICSD 18094)
   682  (JSmol)              -451.6     -463.3       23.0   12.3   Potassium aluminum carbonate hydroxide (KAlCO3 (2(OH))
   683  (JSmol)              -521.1     -511.2       14.8   19.0   Hydrated potassium dawsonite (KAl(CO3)(OH)2 H2O)
   684  (JSmol)              -862.7     -834.1       10.5   19.0   Orthoclase (KAlSi3O8)
   685  (JSmol)             -2100.4    -2304.1       25.1   17.3   Nepheline ((KNa3O2)(Al2O3)2(SiO2)4)
   686  (JSmol)              -294.1     -309.6       27.9   12.1   Potassium cyclo-hexaphosphate (KPO3)
   687  (JSmol)              -347.2     -351.6       28.0   29.3   KPO3 2(H2O)
   688  (JSmol)  -374.8      -347.7     -344.9       21.7   19.5   Potassium dihydrogenphosphate (KH2PO4) (ICSD 87895)
   689  (JSmol)              -573.4     -648.9       28.8   29.1   Potassium hexafluorophosphate (KPF6) (ICSD 1616491)
   690  (JSmol)              -800.1     -781.4       22.5   23.8   Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
   691  (JSmol)              -906.3     -989.2       50.3   23.4   Disodium potassium cyclo-triphosphate (Na2KP3O9) (ICSD 2346)
   692  (JSmol)              -883.6     -981.4       51.0   30.6   Sodium potassium trimetaphosphate (Na2KP3O9)
   693  (JSmol)  -277.4      -265.0     -289.6       19.0   19.7   Mercallite (KHSO4)
   694  (JSmol)              -661.2     -652.9        9.2   11.3   Nonactin-potassium thiocyanate (NONKCS)
   695  (JSmol)             -1472.6    -1301.7       27.0   43.8   Potassium alum (KAl(SO4)2 12(H2O))
   696  (JSmol)             -1270.5    -1186.7       21.4   12.3   Alunite (KAl3(SO4)2(OH)6)
   697  (JSmol)  -104.4      -104.2     -116.8        3.9   16.7   Sylvite (KCl)
   698  (JSmol)   -95.1      -128.9     -157.7       31.6   43.0   Potassium chlorate (KClO3) (ICSD 26409)
   699  (JSmol)  -102.8      -112.8     -135.8       42.0   50.9   Potassium perchlorate (KClO4) (ICSD 1137)
   700  (JSmol)             -3530.5    -4103.5       18.2   37.5   Hanksite (KCl)2(Na2O)22(SO3)18(CO2)4
   701  (JSmol)              -683.8     -629.2       41.1   41.0   Carnallite (KMg(H2O)6Cl3)
   702  (JSmol)   -86.4       -82.0     -130.3       41.0   19.4   Potassium oxide (K2O) (ICSD 44674)
   703  (JSmol)  -275.1      -245.6     -320.2       22.1   17.4   Potassium carbonate (K2CO3) (ICSD 10191)
   704  (JSmol)  -275.1      -245.5     -319.8       13.0   12.5   Potassium carbonate (K2CO3) (ICSD 1816695)
   705  (JSmol)  -275.1      -245.2     -326.7       22.0   19.8   Potassium carbonate (hexagonal) (K2CO3) (ICSD 1816694)
   706  (JSmol)  -321.7      -285.6     -364.3       17.4    7.5   Potassium oxalate (QQQAZJ05)
   707  (JSmol)              -382.4     -405.6       23.1   39.3   catena-((mu-8-Croconato)-di-aqua-di-potassium) (XEYYUV)
   708  (JSmol)  -370.0      -334.7     -392.0       23.2   15.7   Potassium silicate (K2SiO3) (ICSD 1321814)
   709  (JSmol)  -706.5      -722.1     -851.1        1.1   22.5   Potassium hexafluorosilicate (K2SiF6) (ICSD 73722)
   710  (JSmol)              -999.1     -965.8       11.1   23.8   Wadelite (K2Si4O9)
   711  (JSmol)   -91.0      -117.7     -145.9        8.9   18.4   Potassium sulfide (K2S) (ICSD 1004186)
   712  (JSmol)  -343.6      -311.4     -380.2       20.6   19.9   Arcanite (K2SO4)
   713  (JSmol)              -891.6     -868.3       13.6   38.8   Leonite (K2Mg(SO4)2 4(H2O))
   714  (JSmol)  -795.0      -844.2    -1072.4       12.4   29.0   Potassium hexafluoroaluminate (K3AlF6) (ICSD 381848)
   715  (JSmol)  -466.1      -447.2     -526.3       11.2   21.8   Potassium phosphate (K3PO4) (ICSD 158801)
   716  (JSmol)             -1270.3    -1327.6       30.8   27.9   Potassium beryllium bis(malonate) hemihydrate (MALBEK)
   717  (JSmol)             -1388.6    -1407.7       29.4   29.7   Tetrapotassium tetrametaphosphate tetrahydrate (K4H8P4O16)
   718  (JSmol)     0.0       -14.0       19.0       49.6   25.7   Calcium (Ca) (ICSD 44727)
   719  (JSmol)   -14.3        10.1     -111.9       17.7   74.5   Calcium acetylide (CaC2) (ICSD 411190)
   720  (JSmol)  -151.7      -137.1     -121.2       65.8   13.6   Lime (CaO)
   721  (JSmol)  -235.5      -214.9     -221.7       13.1    7.8   Portlandite (Ca(OH)2)
   722  (JSmol)  -288.7      -316.5     -275.0       29.5   21.4   Aragonite (CaCO3)
   723  (JSmol)  -288.6      -320.3     -278.0       33.6    9.4   Calcite (CaCO3) (ICSD 52151)
   724  (JSmol)              -318.2     -276.4       38.4   18.9   Vaterite (CaCO3)
   725  (JSmol)  -331.4      -355.1     -313.1       33.1   19.4   Calcium formate (CAFORM12)
   726  (JSmol)              -424.3     -368.9       36.4   19.2   Whewellite (Ca(Ox)(H2O)) (CALOXM03)
   727  (JSmol)              -490.0     -438.7       29.8   15.9   Weddellite (Ca(C2O4) 2(H2O))
   728  (JSmol)  -224.2      -234.3     -255.8       30.4   34.3   Calcium dinitrate (Ca(NO3)2) (ICSD 1500652)
   729  (JSmol)              -563.9     -509.8       31.2   16.8   Caoxite (Ca(C2O4) 3(H2O))
   730  (JSmol)              -838.7     -836.8       16.5    6.7   Colemanite (Ca2B6O11 5(H2O))
   731  (JSmol)              -548.7     -508.0       15.6   14.6   bis((mu-2-Aqua)-hexa-aqua-calcium 5,5'-azotetrazolate) dihydrate (MINBOA)
   732  (JSmol)              -737.5     -695.0       18.3   11.9   Ikaite ((CaO)(CO2)(H2O)6)
   733  (JSmol)              -535.0     -540.6       31.9   23.9   Nitrocalcite (Ca(NO3)2 4(H2O))
   734  (JSmol)  -293.5      -261.5     -212.4       30.5   16.8   Fluorite (CaF2)
   735  (JSmol)             -1636.4        -.-       19.0    -.-   Ulexite ((Na2O)(CaO)2(B2O3)5(H2O)16)
   736  (JSmol)              -699.2     -720.9       15.9   24.3   Gaylussite CaNa2(CO3)2 5(H2O)
   737  (JSmol)  -556.0      -589.7     -524.6       28.1   10.8   Dolomite (CaMg(CO3)2)
   738  (JSmol)             -1109.0     -976.4       24.4    7.7   Huntite (CaMg3 (CO3)4)
   739  (JSmol)  -369.5      -394.4     -387.8       15.0   20.4   Wollastonite (CaSiO3)
   740  (JSmol)              -603.8     -565.1       16.0   17.2   Datolite (CaBSiO4(OH))
   741  (JSmol)              -599.0     -574.0       15.5   20.2   Calcium disilicate (CaSi2O5) (ICSD 87498)
   742  (JSmol)              -978.4     -891.9       10.5   28.6   Danburite ((CaO)(B2O3)(SiO2)2)
   743  (JSmol)              -771.3     -731.0       16.9   15.0   Diopside (MgCaSi2O6)
   744  (JSmol)             -1139.1    -1201.8       12.1   35.4   Lawsonite (CaAl2Si2O7(OH)2 (H2O))
   745  (JSmol)              -652.5     -550.1       21.8   12.2   Herderite (CaBe(PO4)F(OH))
   746  (JSmol)              -652.5     -550.2       22.3   13.9   Hydroxylherderite (CaBe(PO4)(OH))
   747  (JSmol)              -721.7     -678.7       27.5   24.8   Calcium bis(dihydrogenphospate) (CaH4P2O8)
   748  (JSmol)  -115.3       -87.2       11.7       11.3   84.1   Oldhamite (CaS)
   749  (JSmol)  -342.9      -342.3     -278.5       28.4   36.4   Anhydrite (CaSO4)
   750  (JSmol)              -499.8     -424.6       24.0   22.4   Gypsum (CaSO4 2H2O)
   751  (JSmol)             -1407.6    -1320.5       21.9   20.4   Woodhouseite CaAl3(PO4)(SO4)(OH)6
   752  (JSmol)              -691.8     -744.0       15.5   46.6   Glauberite (CaNaSO4)
   753  (JSmol)              -646.4     -583.5       25.6   17.0   Calcium acetate chloride pentahydrate (CALCLA)
   754  (JSmol)  -190.1      -182.8     -156.4       45.8    5.8   Hydrophilite(CaCl2)
   755  (JSmol)              -586.1     -536.2       30.9   23.7   bis(Dihydroxypropan-2-one)-diaqua-dichloro-bis(1,3-dihydroxypropan-2-one)-di-calcium dichloride (NADQEP)
   756  (JSmol)               -81.2      -17.3       24.8   13.4   bis(tris(2-Pyridylmethyl)amine)-calcium diperchlorate (FESPOI)
   757  (JSmol)              -314.7     -114.8       22.1   23.4   bis(h5-isopropyl-tetramethyl-cyclopentadienyl)-(1,3-di-isopropyl-4,5-dimethylimidazol-2-ylidene)-calcium toluene solvate (QIBBEI)
   758  (JSmol)              -978.2     -876.2       15.6   13.2   Dicalcium naphthalenetetracarboxylate Pentahydrate (Ca2C14H14O13)
   759  (JSmol)  -551.5      -558.9     -558.8       20.9   14.2   Calcium silicate (Ca2SiO4) (ICSD 963)
   760  (JSmol)              -935.9     -924.8       19.6   17.2   Akermanite (Ca2MgSi2O7)
   761  (JSmol)             -1518.0    -1474.4       10.7   18.5   Prehnite (CaO)2(Al2O3)(SiO2)3(H2O)
   762  (JSmol)             -1695.4    -1731.7       31.8   11.2   Tanzanite ((CaO)4(Al2O3)3(SiO2)6(H2O))
   763  (JSmol)             -3013.6        -.-       12.1    -.-   Thomsonite (Na2O)(CaO)4(Al2O3)5(SiO2)10(H2O)12
   764  (JSmol)             -2881.4    -2730.4       11.3   19.0   Tremolite (CaO)2(MgO)5(SiO2)8(H2O)
   765  (JSmol)             -2918.4    -2790.6       11.4   19.9   Fluor-tremolite (Ca2Mg5Si8O22F2)
   766  (JSmol)              -785.8     -732.8       19.7   17.9   Calcium phosphate (Ca2P2O7) (ICSD 22225)
   767  (JSmol)             -2430.5    -2306.9       21.5   22.5   Cucurbituril calcium bisulfate sulfuric acid tridecahydrate (BEBDOB)
   768  (JSmol)             -1231.0    -1236.9       16.5   12.2   Parahilgardite ((CaO)2(B2O3)5(Na2O)(H2O)2)
   769  (JSmol)             -1015.8     -988.8       13.1   12.4   Langbeinite (K2Ca2(SO4)3)
   770  (JSmol)             -1437.0    -1392.8        8.2   15.9   Polyhalite (K2Ca2Mg(SO4)4 2(H2O))
   771  (JSmol)             -1223.9    -1202.0       15.1   14.0   Rosenhahnite (H2Ca3Si3O10)
   772  (JSmol)             -1656.9    -1682.1        4.3    5.9   Garnet (Al2O3(CaO)3(SiO2)3)
   773  (JSmol)             -1656.9    -1682.1        3.9    5.0   Grossular ((CaO)3 (Al2O3) (SiO2)3)
   774  (JSmol)  -987.6      -974.1     -892.7       26.9   27.8   Tricalcium bisphosphate (Ca3(PO4)2) (ICSD 200202)
   775  (JSmol)             -2006.4    -1820.2       22.6    7.9   Calcium phosphate (Ca4P6O19)
   776  (JSmol)             -3026.2    -2892.8        8.3   23.6   Apophyllite ((CaO)4 (SiO2)8 (H2O)8 KF)
   777  (JSmol)             -3026.1    -2890.3       16.8   32.2   Fluorapophyllite (KCa4Si8O20 8(H2O)
   778  (JSmol)             -1587.1    -1455.3       15.6   15.6   Hydroxylapatite (Ca5(PO4)3(OH))
   779  (JSmol)             -1609.3        -.-       16.0    -.-   Fluorapatite (Ca5(PO4)3F)
   780  (JSmol)             -1602.4    -1441.3       15.8   18.1   Chlorapatite (Ca5(PO4)3Cl)
   781  (JSmol)     0.0         3.7       48.1       28.1   71.0   Scandium (Sc) (ICSD 52411) hcp
   782  (JSmol)              -434.0     -431.5       23.5   12.2   catena-(tris(mu-2-Formato-O,O')-scandium) (SCFORM11)
   783  (JSmol)              -555.4     -512.6       16.1   14.4   catena(Aqua-hydroxo-malonato-scandium(iii) dihydrate) (AXMLSC)
   784  (JSmol)              -342.9     -408.0       38.9   12.1   Scandium(iii) trifluoride (ScF3)
   785  (JSmol)              -616.5     -580.4        8.6    7.9   tris(Guanidinium) hexafluoro-scandium(iii) (HEYRUZ)
   786  (JSmol)              -563.2     -432.5       26.8   41.9   catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
   787  (JSmol)             -1692.7    -1572.1       19.9   33.9   Nona-aqua-scandium(iii) tris(trifluoromethanesulfonate) (NINMIG)
   788  (JSmol)  -221.2      -225.2     -217.3       53.2   33.2   Scandium(iii) trichloride (ScCl3)
   789  (JSmol)              -246.2     -231.3       24.0   14.9   fac-(1,3,5-Trimethyl-1,3,5-triazacyclohexane)-trichloro-scandium (JASWUW)
   790  (JSmol)              -365.4     -366.8       21.1   19.3   Trichloro-(2,5,8-trioxononane)-scandium (CORNIG)
   791  (JSmol)  -456.2      -447.0     -306.3       31.7   61.2   Scandium(iii) oxide (Sc2O3) (ICSD 41264)
   792  (JSmol)              -930.1        -.-       26.5    -.-   Thortveitite (Sc2Si2O7)
   793  (JSmol)     0.0        35.3     -137.0       60.7   62.9   Titanium (Ti) (ICSD 653280) hcp
   794  (JSmol)  -225.6      -209.3     -232.0       26.4   21.9   Anatase (TiO2)
   795  (JSmol)  -225.6      -217.2     -233.6       18.4   20.6   Brookite (TiO2)
   796  (JSmol)  -225.6      -216.3     -233.8       17.2   21.2   Rutile (TiO2)
   797  (JSmol)  -399.3      -380.5     -381.0       25.1   26.8   Lithium titanium oxide (Li2TiO3) (ICSD 15150)
   798  (JSmol)              -380.9     -363.2       10.3   24.2   Ti2(C2O4)O3(H2O)3)
   799  (JSmol)              -596.5     -606.0       15.0   22.7   Aqua titanium(III) EDTA hydrate ((YUCMAK)
   800  (JSmol)              -192.7     -192.6       21.4   44.0   Titanium(iv) nitrate (Ti(NO3)4)
   801  (JSmol)  -343.0      -315.7     -436.6       23.6   64.9   Titanium(iii) fluoride (TiF3)
   802  (JSmol)  -394.2      -401.8     -488.4       34.5   69.6   Titanium(iv) fluoride (TiF4)
   803  (JSmol)              -590.5     -540.9       20.3   44.5   bis(Guanidinium) hexafluoro-titanium (KOYXOL)
   804  (JSmol)  -375.9      -378.5     -360.8       20.3   16.0   Ilmenite (MgTiO3)
   805  (JSmol)  -519.3      -535.2     -460.7       21.7   17.4   Magnesium titanate (Mg2TiO4) (ICSD 549417)
   806  (JSmol)              -383.9     -385.9       13.3   20.1   Titanium(iv) oxosulfate (TiO(SO4))
   807  (JSmol)              -443.0     -409.7       19.2   28.3   Titanium oxide sulfate hydrate (TiO(SO4)(H2O))
   808  (JSmol)              -486.4     -432.5       11.3   11.2   Tris(Acetylacetonato) titanium(iv) perchlorate (TIACPC)
   809  (JSmol)  -122.7      -110.3     -168.1       18.6   47.8   Titanium(ii) dichloride (TiCl2) (ICSD 23177)
   810  (JSmol)  -172.3      -150.1     -167.4        8.2   51.6   Titanium(iii) trichloride (TiCl3)
   811  (JSmol)              -803.0     -552.9       29.9   39.3   Titanium(iii) perchlorate-hexa-urea complex (TIUERA)
   812  (JSmol)              -179.0     -163.0       29.7   36.5   Pyridinium (h5-cyclopentadienyl)-tetrachloro-titanium (ICESEO)
   813  (JSmol)              -295.2     -229.1       14.2   30.2   bis(Tetraethylammonium) tetrachloro-sulfido-titanium (GERHAM10)
   814  (JSmol)              -328.9     -291.5       25.2   21.4   bis(Pyridinium) isopropoxy-pentachloro-titanium(iv) (ZUMMUP)
   815  (JSmol)              -663.9     -643.7       14.4   15.6   18-Crown-6 oxonium clathrate aqua-pentachloro-titanium (SEPJEC)
   816  (JSmol)              -350.1     -299.0       27.1   44.5   bis(Dimethylammonium) hexachloro-titanate (BARMAJ)
   817  (JSmol)              -421.7     -472.1       12.3   29.5   Na3(TiCl6)
   818  (JSmol)              -584.4     -572.3       20.5   15.5   Dichloro-(15-crown-5)-titanium tetrachloro-aluminium (YARSUF)
   819  (JSmol)              -456.5     -447.3       14.5   11.6   Perovskite (CaTiO3)
   820  (JSmol)              -652.7     -644.2       10.1   10.0   Titanite (CaTiSiO5)
   821  (JSmol)  -363.5      -340.8     -435.8       28.1   16.8   Titanium(iii) oxide (Ti2O3) (ICSD 9646)
   822  (JSmol)  -587.8      -578.6     -652.1       25.2   16.2   Titanium(iii,iv) oxide (Ti3O5) (ICSD 75193)
   823  (JSmol)     0.0         1.6        -.-        3.2    -.-   Vanadium (V) (ICSD 171003) bcc
   824  (JSmol)              -288.0     -302.2       12.1   24.0   bis(Acetylacetonato)-oxo-vanadium(iv) (ACACVO01)
   825  (JSmol)              -187.7     -231.8       33.1    8.2   Hexacarbonyl-vanadium (FONGUK)
   826  (JSmol)              -160.5     -126.5       57.2   49.3   Vanadium(ii) difluoride (VF2)
   827  (JSmol)              -186.6     -188.9       31.0   25.2   catena-((mu-2-4,4'-Bipyridine)-(mu-2-fluoro)-difluoro-vanadium(iii)) (UDISIK)
   828  (JSmol)  -335.4      -333.2     -295.9       65.0   19.8   Vanadium (iv) tetrafluoride (VF4) (ICSD 65785)
   829  (JSmol)              -482.2     -457.2       13.1   28.5   Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
   830  (JSmol)              -422.9     -376.3       69.2   23.5   Vanadium(V) pentafluoride (VF5)
   831  (JSmol)              -672.4     -802.0       14.9   77.3   Sodium hexafluorovanadate(iii) (Na3VF6) (ICSD 27347)
   832  (JSmol)             -1012.5    -1009.9       35.2   25.7   bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
   833  (JSmol)               -45.4      -33.8       35.9   39.8   tris(Dithiolene)-vanadium(iv) (NAMPOG)
   834  (JSmol)  -145.0      -134.3     -374.5       31.2   75.9   Vanadium(iii) oxychloride (VOCl) (ICSD 1981)
   835  (JSmol)              -125.6     -134.6       22.2   23.8   (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) NIRKUU)
   836  (JSmol)               -98.9      -53.7       52.8   36.2   Vanadium(ii) dichloride (VCl2)
   837  (JSmol)              -379.1     -460.9       14.9   27.4   hexakis(Methanol)-vanadium(ii) dichloride (DATBUV)
   838  (JSmol)  -138.8      -138.2      -82.4       31.2   52.4   Vanadium(iii) trichloride (VCl3) (ICSD 1902637)
   839  (JSmol)              -361.1     -254.3       23.3   14.5   bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
   840  (JSmol)              -558.5     -487.6       29.0   18.2   Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
   841  (JSmol)              -385.2     3368.9        8.5    -.-   Potassium hexachlorovanadate(iv) (K2VCl6) (ICSD 1712440)
   842  (JSmol)  -291.3      -254.7     -154.4       12.5   79.0   Vanadium(iii) oxide (V2O3) (ICSD 201106)
   843  (JSmol)  -370.6      -403.0     -302.1       46.8   53.2   Vanadium(v) pentoxide (V2O5) (ICSD 653926)
   844  (JSmol)              -440.0     -439.0       25.4   30.5   catena-(1,2-Ethylenediammonium bis(mu-2-oxo)-tetraoxo-di-vanadium) (FUDLOF02)
   845  (JSmol)              -327.4     -306.3       27.2   33.8   Ammonium chromate ((NH4)2CrO4) (ICSD 1501451)
   846  (JSmol)     0.0       -31.9     -156.5       53.8   81.4   Chromium (Cr) (ICSD 64711) bcc
   847  (JSmol)              -235.7     -263.2       40.7   21.5   Chromium hexacarbonyl (Cr(CO)6))
   848  (JSmol)              -199.9     -189.9       67.4   55.5   Chromium(vi) oxide (CrO3) (ICSD 16031)
   849  (JSmol)              -183.5     -125.1       11.4   22.7   CrO(OH)
   850  (JSmol)              -336.5     -316.7       35.2   30.1   Lithium chromate (Li2CrO4) (ICSD 1972)
   851  (JSmol)              -288.0     -321.7       27.1   19.3   tetrakis(mu-2-Acetato)-bis(aqua-chromium) (CRAQAC12)
   852  (JSmol)              -888.2     -927.5       19.2   19.9   Ammonium tris(oxalato-O,O')-chromium(iii) dihydrate (AMOXCR)
   853  (JSmol)              -210.3     -233.0       28.6   39.0   Pyridinium fluorochromate (NONYUK)
   854  (JSmol)  -185.9      -219.3     -147.7       63.7   47.2   Chromium(ii) difluoride (CrF2) (ICSD 31827)
   855  (JSmol)  -277.0      -278.0     -276.6       78.4   35.7   Chromium(iii) trifluoride (CrF3)
   856  (JSmol)              -229.7     -300.5       25.1   35.9   Guanidinium trans-tetrafluoro-bis(pyridine-N)-chromium(iii) (PUXPUT)
   857  (JSmol)               185.9      183.0       16.5   12.7   hexakis(6-Isocyanoazulene-C)-chromium tetrafluoroborate (GUZCOT)
   858  (JSmol)              -430.5     -440.9       32.0   38.6   o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
   859  (JSmol)              -582.2     -616.1       21.3   23.6   Lithium hexafluorochromium(iv) (Li2CrF6)
   860  (JSmol)              -318.3     -358.7       34.5   40.8   Sodium chromate (Na2CrO4) (ICSD 26330)
   861  (JSmol)              -285.9     -268.2       28.3   60.5   Magnesium chromate (MgCrO4) (ICSD 312936)
   862  (JSmol)              -552.3     -622.3       20.2   24.4   Kosmochlor (Si2CrNaO6)
   863  (JSmol)            -17287.2   -14986.0       11.3   13.0   Emerald ((Al2O3)(BeO)3(SiO2)6)
   864  (JSmol)             -1263.7    -1242.0       39.2   41.8   Ammonium chromium(III) alum ((NH4)Cr(SO4)2 12(H2O))
   865  (JSmol)              -177.9     -173.3       31.4   46.9   4,4'-Bipyridinedi-ium bis(chloro-trioxo-chromium(vi)) (HIHFOT)
   866  (JSmol)              -255.8     -256.1       12.3   13.5   trans-Difluoro-bis(ethylenediamine)-chromium(iii) chloride (BAVGUA10)
   867  (JSmol)              -404.9     -372.1       15.5   43.5   Ethylenediammonium ethylenediamine-tetrafluoro-chromium(iii) chloride (DIYFEW)
   868  (JSmol)   -94.5       -76.9       -5.9       37.8   38.1   Chromium(ii) dichloride (CrCl2) (ICSD 15468)
   869  (JSmol)               -72.8      -11.0       33.2   48.0   bis(mu-2-Chloro)-bis(h5-cyclopentadienyl)-dichloro-di-chromium (CATSEV01)
   870  (JSmol)  -133.0      -131.6      -66.3       20.6   19.7   Chromium(iii) trichloride (CrCl3)
   871  (JSmol)              -285.6     -197.6       16.6   24.8   trans-Dichloro-tetrakis(ethylamino)-chromium chloride (TIXMES)
   872  (JSmol)              -230.1     -146.5       22.8   12.8   Propane-1,3-diammonium tetrachloro-chromium(ii) (BAHVIP)
   873  (JSmol)              -387.6     -290.8       18.3   10.1   tetrakis(Dimethylammonium) hexachloro-chromium chloride (FAMVUK10)
   874  (JSmol)              -441.9     -551.3       17.6   32.2   Potassium (tetramethylenediamine-N,N,N',N'-tetra-acetato)-chromium(iii) monohydrate (YITNAQ01)
   875  (JSmol)              -813.1     -792.1       25.5   34.6   trans-Potassium bis(oxalato-O,O')-diaqua-chromium trihydrate (KOXACR)
   876  (JSmol)             -1389.1    -1230.5       34.5   58.7   Chromium potassium alum (KCr(SO4)2 12(H2O))
   877  (JSmol)              -311.5     -379.0       29.7    3.2   Tarapacaite (K2CrO4)
   878  (JSmol)              -384.3     -379.0       48.8   44.4   Calcium chromate (CaCrO4) (ICSD 83387)
   879  (JSmol)             -1182.1    -1109.0       16.2   16.4   Calcium potassium trisoxalato chromate(III) pentahydrate (KCaCr(III)(C2O4)3 5(H2O))
   880  (JSmol)  -272.4      -271.5     -197.4       42.2   58.5   Chromium(iii) oxide (Cr2O3) (ICSD 173470)
   881  (JSmol)  -272.4      -272.5     -201.6       40.6   27.7   Chromium(iii) oxide (Cr2O3) (ICSD 201104)
   882  (JSmol)                58.1       96.2       32.5   28.4   Hexamminechromium(iii) hexacyanochromate(iii) (Cr(NH3)6 Cr(CN)6) (ICSD 61679)
   883  (JSmol)              -539.4     -566.1       33.6   24.7   Sodium dichromate (Na2Cr2O7) (ICSD 2534)
   884  (JSmol)              -433.4     -271.7       36.0   18.2   Magnesium dichromate (MgCr2O4) (ICSD 160953)
   885  (JSmol)              -302.8     -302.0       27.7   21.9   Cr2SiO4
   886  (JSmol)              -739.8     -771.0       12.8   27.1   Chromium(iii) sulfate (Cr2(SO4)3) (ICSD 73248)
   887  (JSmol)              -529.4     -571.7       45.2   39.3   Potassium dichromate (K2Cr2O7) (ICSD 10371)
   888  (JSmol)             -1283.9    -1381.1       17.1    8.6   Uvarovite (Ca3Cr2Si3O12)
   889  (JSmol)              -737.0     -709.1       20.2   19.5   Hexaaqua-manganese(ii) ethylenediammoniotetraacetate (ACIJAY)
   890  (JSmol)              -147.7     -132.0       11.9   28.7   Hexamethylguanidinium pentacarbonyl-manganese (VILRUD)
   891  (JSmol)     0.0        15.7       28.1       72.8   18.2   Manganese (Mn) (ICSD 44932) complex
   892  (JSmol)  -137.7      -139.5      -34.8       46.1    7.6   Manganese(ii) dinitrate (Mn(NO3)2) (ICSD 412003)
   893  (JSmol)   -92.1       -75.5        4.6       19.8   23.0   Manganese(ii) oxide (MnO) (ICSD 657304)
   894  (JSmol)              -157.0      -77.0       52.9   54.3   Manganese(iv) dioxide (MnO2) (ICSD 171866)
   895  (JSmol)  -124.3      -156.4      -71.0       50.8   26.0   Manganese(iv) dioxide (MnO2) (ICSD 393)
   896  (JSmol)              -129.2        -.-       54.2    -.-   MnO(OH)
   897  (JSmol)  -213.7      -159.6     -107.2       37.0   79.3   Rhodochrosite (MnCO3)
   898  (JSmol)              -207.0      -72.1       52.9   60.8   Manganese(ii) difluoride (MnF2)
   899  (JSmol)              -546.8     -285.2       27.0   53.4   Tetramethylammonium diaqua-tetrafluoro-manganese(iii) (TMAFMN)
   900  (JSmol)  -317.7      -351.7     -194.5       42.2   37.9   Manganese(ii) metasilicate (MnSiO3) (ICSD 34343)
   901  (JSmol)               -77.3     -117.7       11.6    9.4   Methyltriphenylphosphonium permanganate (MEPHMN01)
   902  (JSmol)              -982.0     -788.8       42.1   45.9   Manganese(ii) tetraphosphate (MnP4O11) (ICSD 4282)
   903  (JSmol)  -254.6      -201.2     -155.6       45.6   26.9   Manganese(ii) sulfate (MnSO4) (ICSD 31231)
   904  (JSmol)  -115.0      -115.1      -25.7       55.3   97.2   Manganese(ii) dichloride (MnCl2)
   905  (JSmol)              -114.8      -88.6       23.1   27.9   1,3-Propylenediammonium tetrachloro-manganese(ii) (PYDAMN03)
   906  (JSmol)              -138.0      -98.2       17.3   16.6   bis(Tetramethylammonium) tetrachloro-manganese (KAVWAF05)
   907  (JSmol)              -313.1     -228.3       26.0   35.7   bis(2-(Ammoniomethyl)pyridinium) hexachloromanganate(ii) dihydrate (LIDQUL)
   908  (JSmol)  -200.1      -218.7     -246.1       47.9   22.2   Potassium permanganate (KMnO4)
   909  (JSmol)              -845.4     -576.2       30.4   16.6   Johannsenite (CaMnSi2O6)
   910  (JSmol)  -324.0      -323.7     -183.2       25.4   46.3   Manganese titanate (MnTiO3) (ICSD 60006)
   911  (JSmol)  -229.2      -255.7      -68.7       22.0   12.2   Manganese(iii) oxide (Mn2O3) (ICSD 159865)
   912  (JSmol)  -413.6      -424.4     -145.6       36.0   50.5   Manganese(ii) orthosilicate (Mn2SiO4) (ICSD 26376)
   913  (JSmol)  -744.9      -748.8     -386.3       43.1   21.6   Manganese phosphate (Mn3(PO4)2) (ICSD 1322074)
   914  (JSmol)                36.2       22.8       16.6   23.7   Ferrocene (FEROCE16)
   915  (JSmol)                36.7       30.8       12.3    6.9   Ferrocene (FEROCE24)
   916  (JSmol)               -34.8      113.1       14.1   25.7   Hydrogen hexacyanoferrate (H4Fe(CN)6)
   917  (JSmol)     0.0        19.6        -.-       61.0    -.-   Iron (Fe) (ICSD 631733) bcc
   918  (JSmol)   -65.0      -102.6     -264.9       29.4   34.4   Iron(ii) oxide (FeO)
   919  (JSmol)              -175.4     -219.8       26.8   52.5   Iron(iii) oxide hydroxide (FeO(OH))
   920  (JSmol)  -177.0      -165.6     -214.9       39.1   45.0   Siderite (FeCO3)
   921  (JSmol)                42.1       11.5       11.6   50.2   bis(Fulvalene-iron) (FULVFE)
   922  (JSmol)  -170.0      -132.6     -425.5       45.9   70.9   Iron(ii) difluoride (FeF2) (ICSD 65702)
   923  (JSmol)              -214.7     -545.9       56.4   68.5   Iron(iii) trifluoride (FeF3)
   924  (JSmol)              -469.8     -431.2       18.5   22.3   tris(Guanidinium) hexafluoro-iron(iii) (FULHOJ)
   925  (JSmol)              -686.3     -686.9       11.4   31.5   Sodium iron(III) EDTA trihydrate (JEPKEU)
   926  (JSmol)  -276.1      -300.4     -261.1       33.5   34.4   Iron silicate (FeSiO3) (ICSD 17055)
   927  (JSmol)              -566.2     -514.4       19.5   45.1   Nontronite (Fe(iii)Si2O5(OH))
   928  (JSmol)              -351.0     -520.3       59.9   64.9   Fe(iii)PO4
   929  (JSmol)  -221.9      -218.8     -254.2       21.4   42.7   Iron(ii) sulfate (FeSO4) (ICSD 23507)
   930  (JSmol)              -734.7     -667.8       35.5   32.6   Iron(ii) sulfate heptahydrate (FeSO4 7(H2O)) (ICSD 1120081)
   931  (JSmol)               -38.2      -64.3       33.9   32.4   Ferricinium tetrachloro-iron(iii) (FERRIC)
   932  (JSmol)   -81.7       -63.0     -513.9       32.0   72.5   Iron(ii) dichloride (FeCl2) (ICSD 44397)
   933  (JSmol)             53423.3     -338.2       79.3   49.3   Iron(ii) dichloride tetrahydrate (FeCl2 4(H2O))
   934  (JSmol)               -99.5      -47.8       26.1   27.9   catena(Dichloro-bis(mu-2-pyrazine)-iron(ii)) (ZIFRUB)
   935  (JSmol)   -95.5       -95.2     -130.1       33.8   57.0   Iron(iii) trichloride (FeCl3)
   936  (JSmol)              -157.7      -98.7       39.3   37.9   Tetramethylammonium tetrachloro-iron(iii) (DIRKEU01)
   937  (JSmol)              -303.6     -221.9       45.0   46.3   beta-Alaninium tetrachloro-iron(iii) (BALACF)
   938  (JSmol)   -59.7       -88.2     -255.0       19.1   38.1   Potassium hexacyanoferrate (K3Fe(CN)6) (ICSD 23047)
   939  (JSmol)  -297.9      -286.1     -293.5       21.3   34.5   Iron titanate (FeTiO3) (ICSD 153492)
   940  (JSmol)  -345.6      -367.5     -260.6       36.5   67.4   Iron dichromate (FeCr2O4) (ICSD 171121)
   941  (JSmol)  -353.7      -365.7     -383.6       14.5   11.2   Iron(ii) orthosilicate (Fe2SiO4) (ICSD 41003)
   942  (JSmol)  -617.4      -648.8     -630.8        7.0   18.4   Iron(iii) sulfate Fe2(SO4)3) (ICSD 31341)
   943  (JSmol)              -635.0     -538.6       22.5   25.1   Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
   944  (JSmol)              -182.4     -166.3       10.0   46.6   Prussian blue (KFe(II)Fe(III)(CN)6)
   945  (JSmol)                43.1       53.1       11.2   92.5   (Cyclopentadienyl)-(o-phenylene-diamino)-cobalt (CAFJEY)
   946  (JSmol)              -131.8      -95.7       13.6   94.3   (Cyclopentadienyl-carboxylic acid)-(cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
   947  (JSmol)              -135.4      -96.2       14.8   87.5   (h5-Cyclopentadienyl-carboxylic acid)-(h5-cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
   948  (JSmol)              -155.5     -179.0       19.9   69.9   Bisacetylacetonato-cobalt(ii) (LIYLIO)
   949  (JSmol)     0.0       -10.7        -.-        1.4    -.-   Cobalt (Co) (ICSD 44989) fcc
   950  (JSmol)     0.0       -20.5        -.-       34.0    -.-   Cobalt (Co) (ICSD 76942) hcp
   951  (JSmol)  -170.4      -109.4        -.-       28.9    -.-   Cobalt carbonate(CoCO3) (ICSD 52377)
   952  (JSmol)              -332.6     -340.7       27.6   68.9   Cobalt diformate dihydrate (Co(HCO2)2(H2O)2) (ICSD 109960)
   953  (JSmol)   -56.8       -67.1        -.-       25.3    -.-   Cobalt oxide (CoO) (ICSD 9865)
   954  (JSmol)  -100.5       -80.5    -6200.5       26.1   95.5   Cobalt(ii) dinitrate (Co(NO3)2) (ICSD 412004)
   955  (JSmol)  -128.3      -160.7        -.-       37.6    -.-   Cobalt(ii) hydroxide (Co(OH)2)) (ICSD 88940)
   956  (JSmol)               -94.6       20.7       17.4   60.5   Hexamminecobalt(iii) hexacyanocobaltate(iii) (Co(NH3)6 Co(CN)6) (ICSD 2560)
   957  (JSmol)              -223.0     -370.7       28.1   96.0   Lithium tetracarbonyl-cobalt (FUBYUW)
   958  (JSmol)                66.6       48.9       27.2   88.5   bis(Cyclopentadienyl)-cobalt (DCYPCO)
   959  (JSmol)                55.6      -79.1       23.5   87.5   bis(Pentamethyl-cyclopentadienyl)-di-cobalt (VOGKEH)
   960  (JSmol)              -102.6      -19.9       16.8   73.7   bis(diethylenetriamine)-cobalt(iii) hexacyano-cobalt(iii) dihydrate (WEQBIE)
   961  (JSmol)              -360.0     -394.6       18.2   39.5   tris(Glycinato-N,O)-cobalt(iii) (SEZMEQ)
   962  (JSmol)  -165.4      -110.1        -.-       54.4    -.-   Cobalt(ii) difluoride (CoF2) (ICSD 73460)
   963  (JSmol)              -217.0    -1497.2       11.5   95.5   Cobalt(iii) fluoride (CoF3)
   964  (JSmol)              -213.9     -393.7       46.2   94.9   Sodium tetracarbonyl-cobalt (FUBYOQ)
   965  (JSmol)              -206.0      -27.7       10.4   94.8   bis((Cyclopentadienyl)-(dimethylphosphido)-cobalt) (DAFZAL)
   966  (JSmol)              -489.0     -421.8       10.8   44.1   Decamethyl-cobaltocenium hexafluorophosphate (DIMJIS01)
   967  (JSmol)  -212.3      -222.1        -.-       25.5    -.-   Cobalt(ii) sulfate (CoSO4) (ICSD 33736)
   968  (JSmol)                56.2       93.6       27.4   91.0   Cyclopentadienyl-disulfur-dinitride-cobalt (BEMGIJ01)
   969  (JSmol)               -76.7       93.6       33.7   55.5   pentakis(Methylisonitrile)-cobalt(i) perchlorate (MINCOP)
   970  (JSmol)              -271.5     -118.0       55.6   87.3   Dichloro-nitrosyl-bis(trimethylphosphine)-cobalt (FALTER)
   971  (JSmol)              -419.3     -157.0       14.1   79.8   Chloro-tris(trimethylphosphine)-cobalt(i) (BUTDEZ)
   972  (JSmol)   -74.7       -75.8        -.-       46.8    -.-   Cobalt(ii) chloride (CoCl2)
   973  (JSmol)              -529.8     -406.8       20.4   97.6   Cobalt(ii) chloride hexahydrate (CoCl2 6(H2O))
   974  (JSmol)              -418.0     -312.3       21.1   82.3   Diaqua-dichloro-bis(urea)-cobalt (AQURCO10)
   975  (JSmol)              -339.1     -206.8       13.2   73.3   (+-)cis-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride monohydrate (CLECOC01)
   976  (JSmol)              -515.4     -392.0       20.9   15.3   D,L-tris(Ethylenediamine)-cobalt(iii) trichloride trihydrate (COTENC01)
   977  (JSmol)              -234.1     -130.5       10.4   90.7   mer-Trichloro-(N-(3-aminopropyl)-1,3-propanediamine)-cobalt(iii) (AMPRCO)
   978  (JSmol)              -446.7     -312.7       27.2   75.8   trans-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride hydrochloride dihydrate (ETDCOH02)
   979  (JSmol)              -212.5     -522.4       48.5   96.9   Potassium tetracarbonyl-cobalt (FUBZAD)
   980  (JSmol)              -372.6        -.-       44.2    -.-   Cobalt chromate (CoCrO4) (ICSD 23492)
   981  (JSmol)              -427.8     -223.4       10.5   59.0   tris(Ethylenediamine) chromium(iii) hexacyano-cobaltate(iii) hexahydrate (ETDHCO)
   982  (JSmol)              -171.1        -.-       46.0    -.-   Cobalt(iii) sesquioxide (Co2O3) (high spin) (ICSD 1300629)
   983  (JSmol)              -158.1        -.-       21.0    -.-   Cobalt(iii) sesquioxide (Co2O3) (low spin) (ICSD 1300628)
   984  (JSmol)              -609.9     -713.9       19.5   76.8   Diaqua-15-crown-5-cobalt tetrachloro-cobalt monohydrate (VOMWUP)
   985  (JSmol)  -213.0      -198.0    -2488.9       25.5   93.3   Cobalt oxide (Co3O4) (ICSD 28158)
   986  (JSmol)              -117.6     -109.1       39.6   20.5   ((2S,3S)-1,4-Dimethoxy-2,3-bis((salicylidene)amino)butane)-nickel(ii) (QAPDOB)
   987  (JSmol)                87.2       71.3       25.6   49.0   Diphenylacetylene bis(cyclopentadienyl nickel) (DPAPNI)
   988  (JSmol)              -136.1     -487.9       18.4   20.0   Hexa-ammine-nickel(ii) bis(trinitromethanide) (XIRNUI)
   989  (JSmol)     0.0         2.7        7.6       28.1   85.1   Nickel (Ni) (ICSD 64989) fcc
   990  (JSmol)     0.0         4.8       11.3       25.9   63.7   Nickel (Ni) (ICSD 76668) hcp
   991  (JSmol)               -67.0       -2.4       52.8   42.6   Nickel oxide (NiO) (ICSD 76669)
   992  (JSmol)  -156.7      -126.1      -90.9       42.8    8.9   Nickel(ii) fluoride (NiF2)
   993  (JSmol)  -126.6      -135.1      -87.8       31.4   28.5   Nickel(ii) hydroxide (Ni(OH)2) (ICSD 28101)
   994  (JSmol)                 9.2      -13.5       57.2   87.9   bis((mu-2-Carbonyl)-(cyclopentadienyl)-nickel) (CBCNIB)
   995  (JSmol)               -27.5      -72.8       58.7   69.4   bis(Hydrogen dimethylglyoximato)-nickel (NIMGLO12)
   996  (JSmol)                32.4       28.8       47.0   89.6   bis(Pentadienyl)-di-nickel (PDYDNI)
   997  (JSmol)              -690.7     -744.3       12.8   22.9   Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
   998  (JSmol)               -26.7       11.3       26.3   53.8   Ammine-(salicylaldehyde thiosemicarbazonato)-nickel(ii) (AMSCNI11)
   999  (JSmol)  -208.6      -185.9     -169.1       31.1   45.0   Nickel(ii) sulfate (NiSO4) (ICSD 33737)
  1000  (JSmol)  -711.3      -706.5     -626.7       27.2   36.4   Nickel(ii) sulfate heptahydrate (NiSO4 7(H2O)) (ICSD 39419)
  1001  (JSmol)                49.2       51.1       46.5   82.9   tetrakis(mu-2-Dithioacetato-O,O')-di-nickel(ii) (DEPPAP)
  1002  (JSmol)               -35.0      -38.4       16.4   48.2   pi-Allyl-di(thiourea) nickel(ii) chloride (ALTUNI10)
  1003  (JSmol)   -73.0       -72.4      -67.4       46.2   36.5   Nickel(ii) chloride (NiCl2)
  1004  (JSmol)              -177.7     -235.4       17.4   14.3   bis(bis(2-Aminoethyl)amine)-nickel(ii) dichloride monohydrate (AEAMNI10)
  1005  (JSmol)              -143.6     -124.6       17.1   18.2   Tetramethylammonium nickel(ii) trichloride (TMANIC)
  1006  (JSmol)              -193.8     -157.6       12.1   12.5   bis(Tetramethylammonium) tetrachloro-nickel (TMACNI03)
  1007  (JSmol)              -123.7     -109.1       24.3   16.7   bis(4-Chloropyridinium) tetrachlorido-nickelate(ii) (KIWGED)
  1008  (JSmol)              -160.8     -193.1       22.0   27.9   Potassium trichloroniccolate(ii) (KNiCl3) (ICSD 10508)
  1009  (JSmol)              -701.8     -629.7       32.6   21.5   Calcium bis(dithio-oxalato-S,S')-nickel hexahydrate (CUPREK)
  1010  (JSmol)              -274.2     -121.7       26.4   65.1   Nickel chromate (NiCrO4) (ICSD 18116)
  1011  (JSmol)               -19.1       18.0        9.2   18.7   tris(1,3-Propanediamine) chromium(iii) pentacyanonickelate(ii) dihydrate (CRTNCN01)
  1012  (JSmol)              -292.6     -306.7       31.2   36.4   mu-2-(h5,h5-Cyclopentadienyl)-bis((h5-cyclopentadienyl)-nickel(ii)) tetrafluoroborate (TCPNIB10)
  1013  (JSmol)               206.8      147.1       39.0   63.9   (mu-3-Ethylidyne)-tris((cyclopentadienyl)-nickel) (GINJIW)
  1014  (JSmol)              -324.6     -306.9       26.2   31.5   Cis Cu Diglycine (CUGLYM02)
  1015  (JSmol)     0.0         4.3       -0.1       52.5   48.4   Copper (Cu) (ICSD 627113)
  1016  (JSmol)               -59.3     -132.1       22.8   45.6   Copper ammine nitrate (Cu(NH3)(NO3)2) (ICSD 78922)
  1017  (JSmol)  -107.5      -108.3     -119.6       16.2   48.7   Copper hydroxide (Cu(OH)2)
  1018  (JSmol)              -242.4     -236.4       37.1   57.4   Copper(II) fluoride, dihydrate (CuF2 2(H2O)) (ICSD 31768)
  1019  (JSmol)  -129.7      -108.8     -103.0       27.8   60.7   Copper(ii) difluoride (CuF2)
  1020  (JSmol)              -528.1     -533.8       16.3   25.7   Copper(ii) hexaquo dinitrate (Cu(NO3)2(H2O)6) (ICSD 1420846)
  1021  (JSmol)  -107.7      -108.3     -110.3       16.8   53.6   Copper(ii) hydroxide (Cu(OH)2) (ICSD 68459)
  1022  (JSmol)   -72.4       -75.7      -88.3       68.8   21.8   Copper(ii) nitrate (Cu(NO3)3) (ICSD 28447)
  1023  (JSmol)              -488.7     -472.1       23.2   19.8   Diaqua-bis(malonato-O,O')-copper hexa-aqua-copper (CUMALH)
  1024  (JSmol)              -307.6     -251.4       19.4   15.6   Tetraammine-copper(ii) bis(pyrazine-2-carboxylate) (TIBWUX)
  1025  (JSmol)               -66.4       59.1       12.0    8.6   bis(2-Methylamino-4-methylimino-2-pentene)-copper(ii) (TIZZAE01)
  1026  (JSmol)              -848.9     -746.2        8.7   30.1   bis(Ethylenediamine) copper(ii) bis(tetrafluoroborate) (CUTFBE10)
  1027  (JSmol)              -177.9     -206.7        9.3   20.5   bis(Ethylenediamine)-bis(nitrato-O)-copper(ii) (COPDEN)
  1028  (JSmol)              -233.9     -271.5       10.8   13.9   tetrakis(mu-2-Acetato)-bis(aqua-copper(ii)) (CUAQAC)
  1029  (JSmol)              -408.9     -414.1       15.8   17.6   trans-Diaqua-bis(methoxyacetato)-copper(ii) (CUACDH10)
  1030  (JSmol)              -673.7     -617.2       20.1   16.2   tris(Ethane-1,2-diamine-N,N')-copper(ii) bis(trifluoroacetate) (VIWMOE)
  1031  (JSmol)              -612.6     -694.1       14.4   38.3   Disodium bis(oxalato-O,O')-copper(ii) dihydrate (CUOXNA10)
  1032  (JSmol)              -307.3     -224.4       14.1   60.7   Dioptase Cu6(Si6O18) 6(H2O))
  1033  (JSmol)             -2541.6        -.-       43.7    -.-   Turquoise (CuAl6(PO4)4(OH)8 5(H2O))
  1034  (JSmol)  -184.4      -199.2      -76.7       12.6   56.4   Copper sulfate (CuSO4)
  1035  (JSmol)              -574.3     -459.0       18.2   23.5   Copper sulfate pentahydrate (CuSO4 5(H2O))
  1036  (JSmol)              -388.7     -315.0       20.0   25.6   Tetraamminecopper(ii) sulfate hydrate ([Cu(NH3)4] SO4 H2O) (ICSD 23189)
  1037  (JSmol)              -444.7     -346.8       17.3   24.6   Tetramminecopper sulfate hydrate (Cu(NH3)4 (SO4) (H2O))
  1038  (JSmol)              -934.2     -861.3       18.7   17.9   Diammonium copper sulfate hexahydrate (Cu(NH4)2 (SO4)2 (H2O)6)
  1039  (JSmol)              -897.7     -846.8       18.4   26.4   Diammonium hexaquacopper(ii) sulfate ((NH4)2[Cu(H2O)6](SO4)2) (ICSD 62991)
  1040  (JSmol)                14.6       49.4       18.9   62.4   bis(2-Thio-6-picoline N-oxide)-copper(ii) (CAQCAY)
  1041  (JSmol)                -5.0       68.1       14.6   59.5   bis(mu-2-N,N-Diethyldithiocarbamato)-di-copper(i) (CUETSC)
  1042  (JSmol)                13.9       74.5       41.0   59.4   bis(1,1-Dimethylethylene-2,2-dithiolato-S,S')-copper(ii) (COYZOG)
  1043  (JSmol)               -21.1      100.5       19.7   53.4   bis(mu-2-Diethyldithiocarbamato)-bis(diethyldithiocarbamato)-di-copper(ii) (CETCAM01)
  1044  (JSmol)   -32.8        -3.2      -31.4       23.3   11.6   Copper(i) chloride (CuCl)
  1045  (JSmol)               -46.8      -40.2       17.6   11.3   tetrakis((mu-3-Chloro)-triethylamino-copper) (DEWKAR)
  1046  (JSmol)              -124.8      -25.7       28.7   64.6   Cyclo-tri-mu-thioacetamide-tris(chloro-copper(i)) (CTACCU)
  1047  (JSmol)               -60.0      -98.5       29.2   15.8   Dichloro-bis(mu-2-(2-(2-dimethylamino)ethylthio)ethanol)-di-copper(ii) (BICTAI)
  1048  (JSmol)              -146.1      -79.6       21.4   23.8   (tris(2-Aminoethyl)amine)-pyridine-copper(ii) diperchlorate (SELXIQ)
  1049  (JSmol)              -199.4     -197.4       26.0   35.3   Copper(II) chloride, dihydrate (CuCl2 2(H2O)) (ICSD 15087)
  1050  (JSmol)   -52.6       -48.2      -52.6       58.7   41.7   Copper(ii) dichloride (CuCl2)
  1051  (JSmol)              -449.4     -410.1       23.7   18.1   Diaqua-(15-crown-5)-copper(ii) diperchlorate (ROBKOI)
  1052  (JSmol)              -170.0     -176.3       31.1   26.4   Dichloro(1,2-ethanediol) copper(ii) (CETDCU10)
  1053  (JSmol)               -20.1      -37.3       28.2   21.3   bis((mu-2-Chloro)-acetonitrile-chloro-copper(ii)) (DCUCAN)
  1054  (JSmol)              -176.3     -246.7       29.0   34.3   Dichloro-(beta-thiodiglycol) copper(ii) (CTDGCU)
  1055  (JSmol)              -161.6     -260.4       24.4   47.7   Aqua-(1,4,7,10-tetrathiacyclododecane)-copper(ii) diperchlorate (CEFXAM)
  1056  (JSmol)               -81.5      -69.5       21.9   18.4   4,4'-Bipyridylium bis(mu-2-chloro)-tetrachloro-di-copper (BPYCCU)
  1057  (JSmol)              -219.9     -184.5       21.2   22.7   bis(Methylammonium) tetrachloro-copper(ii) (ZZZPMY13)
  1058  (JSmol)              -428.2     -394.7       13.5   58.8   bis(beta-Alaninium) tetrachloro-copper(ii) (BEHXIV)
  1059  (JSmol)              -425.2     -332.7       35.7   39.0   Biquanidinium hexachloro-copper(ii) dihydrate (FOWCUP)
  1060  (JSmol)              -436.0     -417.6       33.4   67.2   (15-Crown-5)-diaqua-cobalt tetrachloro-copper(ii) (JUSGAF)
  1061  (JSmol)              -211.5     -241.3       17.8   18.0   Copper trihydroxide nitrate (Cu2(OH)3(NO3)) (ICSD 201478)
  1062  (JSmol)              -256.1     -269.3       29.7   23.2   Malachite (Cu2CO3(OH)2)
  1063  (JSmol)  -221.7      -244.2      -73.8       16.4   44.9   Copper oxide sulfate (CuO CuSO4) (ICSD 61513)
  1064  (JSmol)              -201.1     -217.7       13.6   21.3   Atacamite (Cu2Cl(OH)3)
  1065  (JSmol)               -90.4     -155.6       37.2   18.6   bis(Trimethylammonium) decachlorotetracopper(ii) (MEAMCU10)
  1066  (JSmol)              -383.6     -387.2       17.6   18.2   Azurite ((CuO)3(CO2)2(H2O))
  1067  (JSmol)              -175.4        -.-       54.9    -.-   Brochantite (Cu4(SO4)(OH)6)
  1068  (JSmol)  -194.3      -164.9     -181.9       15.7   13.8   Smithsonite (ZnCO3)
  1069  (JSmol)     0.0        19.4    -1487.7       74.0    -.-   Zinc (Zn) (ICSD 653504) hcp
  1070  (JSmol)              -112.6        -.-       22.4    -.-   Zinc fluoride (ZnF2)
  1071  (JSmol)  -153.4      -135.3        -.-       26.9    -.-   Zinc hydroxide (Zn(OH)2)
  1072  (JSmol)               -67.6      -86.8       27.0   12.0   Zinc oxide (ZnO) (Cubic) (ICSD 38222)
  1073  (JSmol)   -83.8       -74.6      -87.5        6.1    9.8   Zincite (ZnO)
  1074  (JSmol)   -49.2       -41.0      -44.5        5.2    2.9   Sphalerite (ZnS)
  1075  (JSmol)   -46.0       -41.3      -43.3        7.2    3.6   Wurtzite (ZnS)
  1076  (JSmol)  -234.9      -191.4     -222.1       22.3   30.6   Zinkosite (ZnSO4)
  1077  (JSmol)   -99.2      -102.0      -91.1       31.7    8.3   Zinc dichloride (ZnCl2) (ICSD 2459)
  1078  (JSmol)              -157.3     -142.4       23.9   21.5   4,4'-Bipyridinium tetrachloro-zinc (CIQXAB)
  1079  (JSmol)              -804.6     -836.0       24.5   19.7   Hardystonite ((CaO)2(ZnO)(SiO2)2)
  1080  (JSmol)              -188.4     -136.9       20.1   16.2   hexakis(Acetonitrile)-vanadium(ii) tetrachloro-zinc (CUPYER)
  1081  (JSmol)              -409.0     -332.2        8.7   13.8   Zincochromite (ZnCr2O4)
  1082  (JSmol)              -425.2     -436.0       11.2   16.4   Hemimorphite (H2Zn2SiO5)
  1083  (JSmol)  -385.3      -376.1     -388.2       11.8   16.0   Willemite (Zn2SiO4)
  1084  (JSmol)              -450.2     -421.2       22.4    9.9   Tarbuttite (Zn2(PO4)(OH))
  1085  (JSmol)             -1541.6    -1522.6       21.7   20.2   Zinc cyclooctaphosphate hydrate (Zn2P4O12 9(H2O))
  1086  (JSmol)              -764.8     -844.2        8.8   19.2   Hydrozincite (Zn5(CO3)2(OH)6)
  1087  (JSmol)             -1035.5    -1176.3       13.0   29.9   Sclarite (Zn7 (OH)10 (CO3)2)
  1088  (JSmol)     0.0        -2.5       36.8       50.0   89.7   Gallium (Ga) (ICSD 634202)
  1089  (JSmol)  -278.0      -277.4     -207.4       31.1   10.0   Gallium trifluoride (GaF3) (ICSD 22197)
  1090  (JSmol)              -363.0     -345.2       14.4   12.2   tris(Acetylacetonato)-gallium(iii) (ACACGA)
  1091  (JSmol)              -554.7     -453.8       31.2   30.1   tris(Guanidinium) hexafluoro-gallium (BUYFOQ01)
  1092  (JSmol)              -719.5    -1064.1       14.1   43.0   catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
  1093  (JSmol)              -115.1     -104.9       28.0   17.2   Gallium(i) bis(1,3,5-trimethylbenzene) tetrachloro-gallium(iii) (CUPJUS)
  1094  (JSmol)              -107.4      -96.1       32.2   19.9   bis((mu-2-Chloro)-trans-chloro-methyl-gallium) (ICOHIR)
  1095  (JSmol)  -125.4      -145.0     -123.1       47.1   13.2   Gallium trichloride (GaCl3) (ICSD 413455)
  1096  (JSmol)  -260.3      -271.8     -135.2       11.8   42.7   Gallium(iii) oxide (Ga2O3) (ICSD 27431)
  1097  (JSmol)              -854.4    -1824.2       18.4   76.2   catena-((mu-6-Ethylenediphosphonato)-trans-bis(mu-2-fluoro)-diaqua-di-gallium monohydrate) (XUWVEQ)
  1098  (JSmol)              -322.7     -304.1       26.8   26.2   (Ethylenediamine)-tetrahydroxy-germanium(iv) (NOHHIC)
  1099  (JSmol)              -245.1     -240.1       17.4   17.9   1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
  1100  (JSmol)                21.1       28.8       16.6    7.6   7,7,14,4-Tetramethyldinaphtho-di-germanium (YIHWOB)
  1101  (JSmol)              -425.8     -433.8       26.9   18.5   Biguanidinium hexafluoro-germanium (NEQFUL)
  1102  (JSmol)                33.4       36.2       33.8   14.8   Dimethylgermanium dicyanide (DMCYGE)
  1103  (JSmol)               -16.4       -3.3       10.4   12.3   Dodecamethyl-cyclohexagermane (DOMEGE)
  1104  (JSmol)     0.0        -2.2        3.2       12.1    4.5   Germanium (Ge) (ICSD 256961) hexagonal
  1105  (JSmol)     0.0        -2.4       -2.3        3.5    0.9   Germanium (Ge) (ICSD 636535) cubic
  1106  (JSmol)              -167.1     -187.8       35.4   50.8   Germanium(ii) fluoride (GeF2)
  1107  (JSmol)  -138.6      -121.7     -129.1       13.5   11.0   Germanium(iv) dioxide (GeO2) (ICSD 59639)
  1108  (JSmol)                79.0       93.4       29.3   40.7   Germanocene (CEGTOX)
  1109  (JSmol)              -315.9     -301.6       28.6   24.5   Tetrafluoro-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCAL)
  1110  (JSmol)              -263.8     -271.1       18.2   20.1   trans-Tetrafluoro-bis(pyridine)-germanium(iv) (HUMCOH01)
  1111  (JSmol)               -67.7      -85.1       27.5   29.0   bis(Ethylenediammonium) bis((mu-2-sulfido)-disulfido-germanium) (WADWEE)
  1112  (JSmol)              -243.8     -179.4       38.0   34.9   1,4-Dioxane dichloro-germanium (DIOXGC03)
  1113  (JSmol)              -191.5     -132.8       26.1   15.4   Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
  1114  (JSmol)              -613.9     -844.7       28.8   38.2   Potassium hexafluorogermanate (K2GeF6) (ICSD 30310)
  1115  (JSmol)              -100.9      -94.9        7.1    5.7   hexakis(mu-2-Sulfido)-tetrakis(t-butyl-germanium) (JORPAH)
  1116  (JSmol)              -427.7     -254.2       69.7   22.0   Germanium chloride (Ge3Cl8) (ICSD 86673)
  1117  (JSmol)              -704.4     -680.1       14.2    9.7   catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
  1118  (JSmol)   -35.4       -26.9      156.0        0.9   78.0   Aluminum arsenide (AlAs)
  1119  (JSmol)     0.0       -25.9      -18.0       27.2    9.4   Arsenic (As) (ICSD 16516) hexagonal
  1120  (JSmol)     0.0       -21.3      -18.2       29.8   42.4   Arsenic (As) (ICSD 609832) orthorhombic
  1121  (JSmol)              -233.3     -178.9       74.8   32.3   Arsenic(iii) fluoride (AsF3)
  1122  (JSmol)              -100.1       40.3        4.5    -.-   Boron arsenide (BAs)-Sphalerite
  1123  (JSmol)              -498.3     -475.0       36.7   22.9   Lithium hexafluoroarsenate (LiAsF6) (ICSD 74831)
  1124  (JSmol)              -445.1     -440.3       26.7   25.5   Oxonium hexafluoroarsenate(V) (AsF6 (H3O)) (ICSD 61236)
  1125  (JSmol)              -771.6     -713.1       26.4   66.8   Sodium hydrogen arsenate heptahydrate (Na2HAsO4 7(H2O))
  1126  (JSmol)               -12.8      -16.3       24.4   28.6   2,4,6-Trimethyl-2,4,6-triarsa-1,3,5-trithiacyclohexane (JEGDAA)
  1127  (JSmol)               -10.4        2.2       30.0   22.0   Dimethylarsino dimethyldithioarsinate (DMSARS01)
  1128  (JSmol)               -23.2      -34.5       30.0   47.1   Realgar (AsS)
  1129  (JSmol)               -68.3      -55.1       31.9   27.2   tris(Ethylenediammonium) bis(cyclo-hexathioarsenate(iii)) ethylenediamine solvate (DAKKIJ)
  1130  (JSmol)               -58.9      -65.1       26.3   33.5   2-Chloro-1,3,6,2-trithia-arsocane (CTRTAS)
  1131  (JSmol)               -95.1      -76.3       52.3   19.2   Arsenic(iii) chloride (AsCl3)
  1132  (JSmol)              -478.5     -616.3       17.3   49.7   Potassium hexafluoroarsenate (KAsF6) (ICSD 2362)
  1133  (JSmol)              -532.9     -480.0       10.1   14.5   tris(Ethylenediamine)-cobalt(iii) arsenate trihydrate (BIRSUO)
  1134  (JSmol)              -158.9      -53.6       20.4   40.0   Tris(ethylenediamine)-cobalt(iii) tetrathioarsenate(v) (GEPGEO)
  1135  (JSmol)              -246.9     -181.4       11.6    0.6   Adamite (Zn2(AsO4)(OH))
  1136  (JSmol)   -17.0       -17.0      -38.6        0.5    0.6   Gallium arsenide (GaAs)
  1137  (JSmol)  -221.0      -196.0     -240.5       12.3   15.6   Arsenic(v) pentoxide (As2O5) (ICSD 987)
  1138  (JSmol)  -157.1      -178.0     -158.7       64.8   38.0   Claudetite (As2O3)
  1139  (JSmol)               -44.8      -83.0       35.7   51.4   Orpiment (As2S3)
  1140  (JSmol)              -305.5     -385.0       24.0   30.3   Potassium dihydrogen arsenate (KHAs2O6)
  1141  (JSmol)              -726.4     -760.6       17.1   16.7   bis((h5-Cyclopentadienyl)-(mu-2-fluoro)-(pentafluoro-arsenic))-vanadium(iv) (VUFFIL)
  1142  (JSmol)              -949.7        -.-       57.0    -.-   Erythrite (Co3(AsO4)2 8(H2O))
  1143  (JSmol)              -831.7     -653.6       27.5   65.8   Annabergite (Ni3(AsO4)2 8(H2O))
  1144  (JSmol)              -456.3     -495.1       20.5   28.8   H5As3O10
  1145  (JSmol)               -31.5     -145.7       39.1   60.0   7-Methyl-1,3,5-triarsa-2,4,9-trithia-adamantane (MARSTA)
  1146  (JSmol)              -358.4     -285.0       44.3   17.9   Cubic arsenic(iii) oxide (As2O3)
  1147  (JSmol)              -382.3     -325.5       37.6   33.2   1,3-Propylenediammonium selenite dihydrate (BAYCEK)
  1148  (JSmol)              -390.3     -350.0       36.9   30.7   Diglycine selenate (DGLYSE)
  1149  (JSmol)              -149.2     -279.0       40.1   28.6   Disodium selenate (Na2SeO4) (ICSD 150706)
  1150  (JSmol)              -167.5     -101.8       53.3   36.6   Guanidinium hydrogenselenate (HESNAV01)
  1151  (JSmol)              -144.1      -90.8       18.5   23.8   Selenic acid (H2SeO4) (ICSD 38432)
  1152  (JSmol)     0.0         5.8       -5.8       27.6   25.4   Selenium (Se) (ICSD 200685)
  1153  (JSmol)              -117.9      -82.6       29.1   48.3   Selenium dioxide (SeO2) (ICSD 412233)
  1154  (JSmol)              -221.5     -193.5       34.0   42.2   Selenium(iv) tetrafluoride (SeF4) (ICSD 85451)
  1155  (JSmol)              -186.2     -274.2       56.9   32.9   Sodium selenate (Na2SeO3) (ICSD 280941)
  1156  (JSmol)                -8.7      -21.9       12.8   27.7   Diselenium(ii) chloride (Se2Cl2)
  1157  (JSmol)               -52.5      -43.5       26.4   22.1   Diseleno-bis(formamidinium) dichloride (SEFORC10)
  1158  (JSmol)              -182.4     -146.1       31.6   25.0   Dioxane-seleninyl-dichloride (DOXSEC)
  1159  (JSmol)               -93.7     -142.6       14.9   35.0   Potassium 1,2-diseleno-oxalate (SEOXAK)
  1160  (JSmol)   -39.0       -54.6      -14.0        2.3   30.1   Stilleite (ZnSe)
  1161  (JSmol)                -2.9     -131.6       17.6   33.5   Germanium(iv) diselenide (GeSe2) (ICSD 614)
  1162  (JSmol)               -81.4      -36.0       13.7   19.5   bis(Tetra-n-butylammonium) hexaselenide (CAHJUQ)
  1163  (JSmol)              -207.4     -168.4       15.6   22.8   tris(Selenourea) dichloride monohydrate (SECLUR)
  1164  (JSmol)              -271.1     -230.7       48.3   20.7   bis(1,2,4-Triseleno-3,5-diazolium) bis(hexafluoroarsenate) (KAZBIW)
  1165  (JSmol)                33.8      -27.3       32.3   42.1   Tetraselenonaphthalenium chloride (VAMZEO)
  1166  (JSmol)               -67.2       13.1       46.9   16.3   bis(Tetramethylammonium) pentaselenide (ZAZCIM)
  1167  (JSmol)              -461.8     -643.7       24.1   46.8   bis(15-Crown-5-sodium) bis(tetraselenido)-zinc (SAMZUB)
  1168  (JSmol)               -89.9      -93.2       10.8   19.8   bis(Tetra-n-propylammonium) spiroundecaselenide (SOMWIA)
  1169  (JSmol)   -64.7       -67.7     -100.6       23.0   46.4   Ammonium bromide (NH4Br) (ICSD 43300)
  1170  (JSmol)              -228.1     -196.0       15.4   17.0   Ethyl magnesium bromide diethyletherate (EMGBRE10)
  1171  (JSmol)              -147.2     -164.4       22.5   47.5   Hydrogen bromide dihydrate (HBr (H2O)2) (ICSD 34105)
  1172  (JSmol)              -145.5     -148.0       26.3   29.2   L-Argininium bromate (JAXFOE)
  1173  (JSmol)   -83.9       -97.1      -90.8        3.2    1.2   LiBr
  1174  (JSmol)              -248.2     -248.6       16.8   11.7   Munchnone (BFAXZO)
  1175  (JSmol)   -86.3      -105.1     -101.9       18.8   18.8   NaBr
  1176  (JSmol)   -79.9       -62.5     -136.7       27.4   34.5   Sodium bromate (NaBrO3) (ICSD 1302)
  1177  (JSmol)              -418.9     -459.0       15.8   20.9   Tetrodotoxin hydrobromide (TETXHB)
  1178  (JSmol)   -90.6       -88.7      -93.7       28.5   25.0   p-Bromobenzoic acid (BRBZAP01)
  1179  (JSmol)   -30.5       -51.1      -29.9       16.4   25.3   Phosphonium bromide (PH4Br) (ICSD 031149)
  1180  (JSmol)   -30.5       -51.1      -29.9       15.7   23.9   Phosphonium bromide (PH4Br) (ICSD 1622038)
  1181  (JSmol)                -3.8       -7.8       13.0   30.0   Disulfur dibromide (S2Br2) (ICSD 37020)
  1182  (JSmol)               -85.5      -81.5       25.8   20.1   V (BOQWIN)
  1183  (JSmol)   -94.1       -89.5     -102.2        6.4    4.9   KBr
  1184  (JSmol)   -86.1       -51.5     -117.9       28.7   33.4   Potassium bromate (KBrO3) (ICSD 47173)
  1185  (JSmol)   -68.8      -106.7      -41.3       46.0   52.6   Potassium perbromate KBrO4) (ICSD 15222)
  1186  (JSmol)   -25.0       -20.9      -20.5       19.3    8.3   Copper(i) bromide (CuBr)
  1187  (JSmol)               -83.6      -81.4       34.1   36.5   Copper(i) diammine bromide (Cu(NH3)2Br) (ICSD 170947)
  1188  (JSmol)              -225.1        -.-       20.1    -.-   Trans Cu DiGly (IWUBEH)
  1189  (JSmol)               -50.9      -23.6       11.4    6.7   tetrakis((mu-3-Bromo)-triethylamino-copper) (DEWKEV)
  1190  (JSmol)                -4.4      -24.2       18.0   50.4   Diselenium(ii) bromide (Se2Br2)
  1191  (JSmol)   -84.5       -72.6     -101.2       26.1   32.0   Beryllium dibromide (BeBr2)
  1192  (JSmol)     0.0        -5.7      -30.8       17.9   47.5   Bromine (Br2) (ICSD 24019)
  1193  (JSmol)                24.9      -39.1       14.7   10.6   Dibromo-tetrakis(pyridine)-magnesium pyridine solvate (MGPPYD)
  1194  (JSmol)              -943.4     -924.2       26.3   34.2   Hexa-aqua-magnesium(ii) 18-crown-6 dibromide dihydrate (IFOYAE)
  1195  (JSmol)  -125.3      -129.4     -135.9        3.0   20.9   Magnesium dibromide (MgBr2)
  1196  (JSmol)               -73.3      -62.5       28.2   32.0   Silicon(ii) bromide (SiBr2)
  1197  (JSmol)              -666.2     -625.5       21.9   18.1   bis((mu-2-N,N-diethylcarbamato-O,O,O')-bromo-bis(tetrahydrofuran)-magnesium) (HOYVUM)
  1198  (JSmol)               -79.7     -136.5       20.7   66.1   bis(Acetonitrile)(dibromo)beryllium (PACGEH)
  1199  (JSmol)               -99.2     -132.5       25.4   21.3   bis(Dibromo-(mu-2-dimethylamido)-aluminium) (YEFVIO)
  1200  (JSmol)              -226.1     -238.8       16.0   16.8   bis(Guanidinium) eosinate trihydrate (BOJFEM)
  1201  (JSmol)              -123.2     -110.8       17.6   22.2   Dibromo-bis(dimethyl sulfide)-beryllium (YEQWUN)
  1202  (JSmol)               -53.3      -51.2       18.8   18.1   XIII 1,3-dibromo-2-chloro-5-fluorobenzene
  1203  (JSmol)  -163.2      -160.3     -136.6       50.9   38.2   Calcium dibromide (CaBr2)
  1204  (JSmol)              -365.9     -338.2       19.9   14.9   Dibromo-tetrakis(tetrahydrofuran)-calcium naphthalene solvate (NITPUC)
  1205  (JSmol)   -96.1      -105.7     -215.0       21.4   20.6   Titanium(ii) dibromide (TiBr2) (ICSD 26078)
  1206  (JSmol)              -113.7     -100.5       29.5   26.1   Vanadium(ii) dibromide (VBr2)
  1207  (JSmol)              -126.4      -87.5        6.8   13.6   tetrakis(mu-2-Bromo)-bis((h5-ethyltetramethyl-cyclopentadienyl)-vanadium(iii)) (NAJXUR)
  1208  (JSmol)               -57.1      -94.2       12.0   15.3   Bromo-tris(2-dimethylaminoethyl)amine-manganese(ii) (DAEAMN)
  1209  (JSmol)   -92.0       -92.2       10.9       48.3   57.1   Manganese(ii) dibromide (MnBr2)
  1210  (JSmol)              -331.5     -355.3       22.2   20.0   bis(Triethyleneglycol-O,O')-manganese(ii) dibromide (BOTHIC)
  1211  (JSmol)              -126.4      -81.9       12.8   21.2   Bromo-tris(2-dimethylaminoethyl)amine-iron(ii) (DAEAFE)
  1212  (JSmol)   -59.7       -74.0     -156.1       23.9   52.4   Iron(ii) dibromide (FeBr2) (ICSD 409571)
  1213  (JSmol)   -52.8       -54.9        -.-       25.1    -.-   Cobalt(ii) bromide (CoBr2)
  1214  (JSmol)   -50.7       -47.7      -69.5       31.3    8.4   Nickel(ii) bromide (NiBr2)
  1215  (JSmol)              -340.6     -317.2       32.1   36.7   Copper(II) bromide, tetrahydrate (CuBr2 4(H2O)) (ICSD 67555)
  1216  (JSmol)              -421.5     -443.1        4.1   35.9   Copper(II) hexaquo bromate (Cu(H2O)6 BrO3) (ICSD 1402205)
  1217  (JSmol)   -25.0       -44.4      -48.5       56.9   38.3   Copper(ii) bromide (CuBr2) (ICSD 409450)
  1218  (JSmol)               -44.4      -46.0       43.3   36.6   Dibromo-(2-(2-aminoethyl)pyridine) copper(ii) (BAEPYC)
  1219  (JSmol)               -94.1      -40.9       11.8   14.9   Dibromo-(N,N,N',N'-tetramethylethylenediamine) copper(ii) (BTMECU)
  1220  (JSmol)               -48.4      -29.2       13.7   15.1   bis(mu-2-Bromo)-bis(bromopyridine-copper(ii)) (BPYRCU)
  1221  (JSmol)   -78.6       -53.7      -67.7       18.1   21.0   Zinc bromide (ZnBr2)
  1222  (JSmol)               -80.0      -85.4       14.6   18.9   Gallium(i) hexamethylbenzene tetrabromo-gallium(iii) (CEFSEL)
  1223  (JSmol)               -62.5      -83.5       23.2   66.1   bis(Dibromo-pyridine-gallium) (BAWVEA)
  1224  (JSmol)               -80.4      -27.7       38.7   16.0   Germanium(ii) bromide (GeBr2)
  1225  (JSmol)    13.8         2.3      -44.5       21.9   17.6   246-Tribromoaniline (BRANIL)
  1226  (JSmol)  -122.2      -117.9     -139.0       28.8   43.7   Aluminum tribromide (AlBr3)
  1227  (JSmol)               -79.0      -77.8       40.0   46.6   Boron tribromide (BBr3) (ICSD 24727)
  1228  (JSmol)              -387.2     -395.9       28.4   28.7   bis(mu-2-Bromo)-bis(1,2-bis(methoxyethoxy)ethane)-di-magnesium bis(mu-2-methyl)-tetrabromo-di-magnesium (OKUTAP)
  1229  (JSmol)  -109.6      -130.7     -121.7       33.1   31.7   Phosphoric tribromide (POBr3) (ICSD 1100034)
  1230  (JSmol)  -148.9      -149.4     -180.4       44.9   19.5   Scandium(iii) tribromide (ScBr3)
  1231  (JSmol)  -131.1      -135.4     -262.8        8.3   57.4   Titanium(iii) bromide (TiBr3)
  1232  (JSmol)   -72.2       -69.9        3.2        8.4   25.1   Chromium(iii) tribromide (CrBr3)
  1233  (JSmol)   -64.1      -107.1     -236.7       29.6   72.8   Iron(iii) tribromide (FeBr3)
  1234  (JSmol)   -92.4       -98.6     -110.9       27.0   37.4   Gallium tribromide (GaBr3) (ICSD 413456)
  1235  (JSmol)   -47.0       -58.0      -55.9       18.8   30.3   Arsenic(iii) bromide (AsBr3)
  1236  (JSmol)              -268.7     -271.4       12.8   30.0   Tribromo-(15-crown-5)-arsenic (JIGSUN)
  1237  (JSmol)              -110.3     -116.0       24.9   19.8   Tribromo-(trimethylarsane)-gallium(iii) (TINJEG)
  1238  (JSmol)  -147.4      -146.5     -258.3       29.0   66.5   Titanium(iv) bromide (TiBr4)
  1239  (JSmol)              -138.8      -77.2        5.6   12.2   bis(Tetramethylammonium) tetrabromo-manganese (VANPEF01)
  1240  (JSmol)               -85.0     -166.4       54.5   53.5   4-Ethylpyridinium tetrabromoferrate(iii) (EPYMBF)
  1241  (JSmol)               -58.1     -133.1       39.4   79.5   2,2'-Bipyridinedi-ium tetrabromo-cobalt(ii) (BPYRBC11)
  1242  (JSmol)              -131.7     -111.4       31.6   31.6   bis(N,N,N',N'-Tetramethylguanidinium) tetrabromo-nickel (CEPXIF)
  1243  (JSmol)               -57.3      -57.5       31.6   43.7   bis(Pyridinium) tetrabromo-copper(ii) (BACHIX)
  1244  (JSmol)               -52.1     -110.6       27.3   23.1   2,2'-Bipyridinedi-ium tetrabromo-zinc(ii) (AGEXAM)
  1245  (JSmol)              -168.8     -267.5       18.5   36.7   bis(Guanidinium) tetrabromo-zinc(ii) (BEYNUO)
  1246  (JSmol)              -152.7     -159.7        8.5   11.6   bis(Tetramethylammonium) tetrabromo-zinc(ii) (CEKLOT01)
  1247  (JSmol)              -120.3     -105.1       13.4   23.9   Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
  1248  (JSmol)   -64.5       -81.4     -124.7       30.1   24.3   Phosphorus(v) pentabromide (PBr5) (ICSD 22140)
  1249  (JSmol)              -134.2     -211.4       28.2   33.7   trans-Dibromo-tetrakis(acetonitrile-N)-vanadium(iii) tribromide (DUSGED)
  1250  (JSmol)              -189.5     -152.1        9.7   10.6   tris(Tetramethylammonium) (mu-2-bromo)-bis(dibromo-copper(i)) (CUPHEA)
  1251  (JSmol)              -150.7     -256.0       27.8   34.8   bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
  1252  (JSmol)                15.1       -2.7       12.4   20.2   Hexabromobenzene (HBRBEN02)
  1253  (JSmol)              -128.1     -327.7       30.1   52.2   Aminoguanidinium hexa-bromo-copper(ii) (TIVJEN)
  1254  (JSmol)               -96.2     -222.7       11.0   15.9   Bis(1,4-Diazoniabicyclo(2.2.2)octane) bis(1-aza-4-azoniabicyclo(2.2.2)octane) tetrakis(tribromide) dibromide (DAHGUO)
  1255  (JSmol)               -52.4     -129.3       17.9   27.9   bis(N-Methyl-2-bromothiazolidinium) hexabromoselenate (POYLAQ)
  1256  (JSmol)              -249.4     -289.4        8.3   17.3   bis(Tetra-n-propylammonium) tetrakis(mu-2-bromo)-hexabromo-triselenate(ii,iv,ii) (JAMBAA)
  1257  (JSmol)     0.0        -0.7       -0.7        1.2   44.2   Krypton (Kr) (ICSD 9785)
  1258  (JSmol)              -227.8     -235.2       66.9   66.5   Krypton difluoride (KrF2) (ICSD 23534)
  1259  (JSmol)              -422.0     -393.1       22.4   33.7   (Cyclopentadienyl)-(18-crown-6)-rubidium dimethoxyethane solvate (QEXTIW)
  1260  (JSmol)              -318.2     -293.3       23.7   23.6   (Diphenylmethanide)-(18-crown-6)-rubidium (UNIJIK)
  1261  (JSmol)  -133.3      -134.9     -153.9       59.8   11.7   RbF
  1262  (JSmol)     0.0       -11.7      -29.5       32.2   56.7   Rubidium (Rb) (ICSD 650018)
  1263  (JSmol)                 8.5       11.6       59.2   50.1   Rubidium acetylide (Rb2C2) (ICSD 51529)
  1264  (JSmol)   -27.0       -40.7      -65.8       34.8   48.0   Rubidium amide (RbNH2) (ICSD 50484)
  1265  (JSmol)  -100.1       -99.4      -78.2       59.6   57.5   Rubidium deuteriooxide (RbOD) (ICSD 60974)
  1266  (JSmol)               -97.6      -78.2       50.5   53.7   Rubidium deuteriooxide (RbOD) (ICSD 60976)
  1267  (JSmol)              -249.9     -179.8       27.8   32.0   Rubidium dihydrogenphosphate (RbH2PO4) (250131)
  1268  (JSmol)              -175.7     -139.4       35.0   49.2   Rubidium formate (RbHCO2) (ICSD 172203)
  1269  (JSmol)              -189.5     -153.5       30.7   49.9   Rubidium hydroxide hydrate (RbOH (H2O)) (ICSD 47115)
  1270  (JSmol)  -232.1      -235.8     -210.7       43.9   51.8   Rubidium metaborate (RbBO2) (ICSD 1005205)
  1271  (JSmol)  -118.3      -113.0     -105.0       41.0   63.1   Rubidium nitrate (hexagonal) (RbNO3) (ICSD 1614238)
  1272  (JSmol)              -157.5     -137.0       63.1   59.0   Rubidium oxalate (Rb2C2O4) (ICSD 1003511)
  1273  (JSmol)  -277.0      -275.9     -250.7       20.9   51.6   Rubidium hydrogen sulfate (RbHSO4) (ICSD 36326)
  1274  (JSmol)  -104.1      -103.8     -119.7       21.0    4.0   RbCl
  1275  (JSmol)              -130.2      -98.8       12.0   43.6   Rubidium chlorate (RbClO3) (ICSD 36260)
  1276  (JSmol)  -104.5      -114.6      -87.8       25.1   58.8   Rubidium perchlorate (RbClO4) (ICSD 63363)
  1277  (JSmol)             -1414.2    -1273.3       21.8   29.8   Rubidium chromium alum (RbCr(III)(SO4)2 12(H2O))
  1278  (JSmol)              -458.6     -416.7       14.4   22.2   bis((18-Crown-6)-rubidium) bis(mu-2-chloro)-tetrachloro-di-copper (JUMJEG)
  1279  (JSmol)              -522.5     -488.4       19.7   21.9   (18-Crown-6)-diaqua-bromo-rubidium(i) (XAJXUD)
  1280  (JSmol)   -94.3      -106.0     -109.7       26.8    4.9   RbBr
  1281  (JSmol)              -205.5     -214.1       10.4   27.4   Rubidium tribromovanadate(ii) (RbVBr3) (ICSD 201836)
  1282  (JSmol)              -395.2     -344.0       29.0   53.6   Dirubidium oxalate hydrate (Rb2C2O4 H2O) (ICSD 240494)
  1283  (JSmol)  -271.5      -264.3     -232.1       59.6   51.4   Rubidium carbonate (Rb2CO3) (ICSD 414122)
  1284  (JSmol)   -81.0       -42.0      -29.1       69.0   72.5   Rubidium oxide (Rb2O) (ICSD 77676)
  1285  (JSmol)              -313.0     -287.2       48.8   56.3   Rubidium sulfate (Rb2SO4) (ICSD 203159)
  1286  (JSmol)              -105.6      -75.2       52.4   42.1   Rubidium sulfide (Rb2S) (ICSD 1009010)
  1287  (JSmol)              -338.2     -287.7       41.8   61.4   Rubidium chromate (Rb2CrO4) (ICSD 280457)
  1288  (JSmol)              -383.5     -393.7       59.4   57.1   Rubidium fluoride carbonate (Rb3FCO3) (ICSD 66029)
  1289  (JSmol)              -476.9     -391.7       50.4   54.1   Rubidium phosphate (Rb3PO4) (ICSD 161677)
  1290  (JSmol)              -484.8     -487.0       22.0   16.1   (18-Crown-6)-bis(nitrato-O,O')-strontium (JAWWAF)
  1291  (JSmol)             -1199.3    -1162.3       24.6   24.7   18-Crown-6-bis(hexafluoro-acetylacetonato)-strontium (QUGTIW)
  1292  (JSmol)  -347.3      -363.4     -303.8       35.1   17.0   Celestine (SrSO4)
  1293  (JSmol)  -291.6      -296.7     -254.8       33.3   22.5   Strontianite (SrCO3)
  1294  (JSmol)     0.0        38.2      -65.5        0.0   40.2   Strontium (Sr) fcc (ICSD 44721)
  1295  (JSmol)  -290.7      -246.4     -262.6       46.0    5.8   Strontium fluoride (SrF2)
  1296  (JSmol)  -333.0      -332.7     -297.9       35.9   34.0   Strontium formate (SrC2H2O4) (ICSD 249198)
  1297  (JSmol)              -316.4     -264.1       40.6   40.7   Strontium hydroxide hydrate (Sr(OH)2 (H2O)) (ICSD 63016)
  1298  (JSmol)  -229.2      -236.1     -192.1       48.4   52.7   Strontium hydroxide(Sr(OH)2) (ICSD 1415801)
  1299  (JSmol)  -390.5      -389.6     -484.0       24.4   39.9   Strontium metasilicate (SrSiO3) (ICSD 59308)
  1300  (JSmol)  -233.8      -232.7     -224.7       27.8    9.0   Strontium nitrate (Sr(NO3)2) (ICSD 35494)
  1301  (JSmol)  -141.5      -144.2     -103.5       39.9   66.3   Strontium oxide (SrO)
  1302  (JSmol)  -112.9      -107.5      -80.9       16.1   71.2   Strontium sulfide (SrS) (ICSD 651068)
  1303  (JSmol)              -520.7     -474.4       21.8   17.0   bis(Dimethyl malonato)-(pentamethyldiethylenetriamine)-strontium (OFULOQ)
  1304  (JSmol)             -1420.9    -1781.8       30.0   53.6   catena-((Ethylenediammonium) tetra-aqua-octaoxo-tetraoxa-tetraphosphacyclo-octane-strontium monohydrate) (VABFEJ)
  1305  (JSmol)             -1188.2    -1074.7       28.9   19.7   catena-((mu-3-3-Carboxy-4-hydroxybenzenesulfonato-O,O',O'')-(3-carboxy-4-hydroxybenzenesulfonato)-tetra-aqua-strontium(ii) dihydrate) (YAMNUW)
  1306  (JSmol)              -552.8     -483.4       31.9   23.9   catena-((mu-6-D,L-Homocysteic acid)-aqua-strontium chloride) (NARZEM)
  1307  (JSmol)  -198.1      -183.8     -193.5       36.3    2.0   Strontium chloride (SrCl2)
  1308  (JSmol)              -692.3     -626.5       36.6   37.3   bis(Glycine) strontium dichloride trihydrate (GLYSRC10)
  1309  (JSmol)              -828.3     -756.0       25.2   16.6   catena-((mu-2-Galactitol)-tetra-aqua-strontium dichloride) (AKOSAU)
  1310  (JSmol)              -559.3     -502.6       39.9   33.2   catena-((mu-3-L-alanine-O,O,O',O')-chloro-triaqua-strontium chloride) (BOPYOV)
  1311  (JSmol)              -811.8     -696.2       10.2   14.2   tetrakis(Biuret) strontium(ii) perchlorate BIURSR)
  1312  (JSmol)              -892.2     -954.4       21.3   36.4   Paracelsian (SrGa2Si2O8)
  1313  (JSmol)  -171.5      -161.0     -164.3       43.8   34.5   Strontium bromide (SrBr2)
  1314  (JSmol)              -557.2     -519.4       32.4   20.4   Triaqua-bromo-(12-crown-4)-strontium bromide (WOZHUO)
  1315  (JSmol)  -550.8      -551.8     -705.5       32.8   70.7   Strontium orthosilicate (Sr2SiO4) (ICSD 544865)
  1316  (JSmol)              -796.5    -1252.8       44.4   66.1   Strontium phosphate (Sr2P2O7) (ICSD 31004)
  1317  (JSmol)              -988.2    -1448.5       30.3   62.0   Strontium phosphate (Sr3(PO4)2) (ICSD 410784)
  1318  (JSmol)             -1593.1    -2278.1       32.6   64.0   Strontium chlorapatite (Sr5(PO4)3Cl) (ICSD 1404651)
  1319  (JSmol)             -1151.3    -1204.5       13.6   46.1   Hexa-aqua-bis(2-naphthalenesulfonato-O)-yttrium(iii) 2-naphthalenesulfonate trihydrate (GAKZAT)
  1320  (JSmol)              -610.1     -707.5       61.1   78.9   Lithium yttrium(iii) tetrafluoride (LiYF4) (ICSD 73709)
  1321  (JSmol)             -1427.8    -1477.5       19.3   26.6   Nona-aqua-yttrium(iii) tris(ethyl sulfate) (AYETHS01)
  1322  (JSmol)             -1664.1    -1839.4       14.6   83.2   Tri-sodium tris(dipicolinato-N,O,O')-yttrium nonahydrate (YAWPUI)
  1323  (JSmol)              -408.4     -456.1       29.5   53.9   Xenotime (YPO4)
  1324  (JSmol)              -585.5     -568.1       17.8   33.5   Y(III)((Me)6 Acac)3 (HAHTOZ01)
  1325  (JSmol)     0.0       -24.9       80.4       26.7   48.0   Yttrium (Y) (ICSD 95167) hcp
  1326  (JSmol)  -411.1      -424.2     -479.1       37.9   17.5   Yttrium(iii) trifluoride (YF3) (ICSD 15961)
  1327  (JSmol)              -649.1     -814.6       13.8   57.2   catena-(Ammonium bis(mu-2-oxalato)-aqua-yttrium(ii)) (AYOXLH)
  1328  (JSmol)              -903.8     -892.2       15.2   16.1   tris(Guanidinium) difluoro-(ethylenediaminetetra-acetato)-yttrium(iii) monohydrate (JIJTIF10)
  1329  (JSmol)  -239.2      -212.5     -231.5       43.0   26.7   Yttrium(iii) trichloride (YCl3) (ICSD 15684)
  1330  (JSmol)              -329.9     -353.8       46.5   32.9   Sodium yttrium(iii) tetrachloride (NaYCl4) (ICSD 1707980)
  1331  (JSmol)              -821.0    -1197.9        8.0   57.3   Potassium yttrium(iii) hexafluoride (K3YF6) (ICSD 416296)
  1332  (JSmol)             -1173.3    -1384.3       11.1   44.1   Pentapotassium octakis(formato)-yttrium (CAVYUT)
  1333  (JSmol)              -197.5     -344.9       24.4   34.3   Dibromo-(N,N'-bis(2-(diethylamino)ethyl)pentane-2,4-di-iminato-N,N',N'',N''')-yttrium(iii) toluene solvate (EROZIU)
  1334  (JSmol)              -145.2     -235.1       42.6   63.0   Yttrium(iii) tribromide (YBr3) (ICSD 1300338)
  1335  (JSmol)              -870.9     -896.0       24.7   24.9   hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
  1336  (JSmol)              -841.1    -1104.1       50.7   57.6   Rubidium yttrium(iii) hexafluoride (Rb3YF6) (ICSD 19077)
  1337  (JSmol)  -455.8      -436.5     -458.4       31.6   30.4   Yttrium(iii) oxide (Y2O3) (ICSD 81861)
  1338  (JSmol)              -151.0     -512.3       18.1   33.5   bis((mu-2-Hydroxo)-bis(h5-cyclopentadienyl)-yttrium) diphenylacetylene (GAWLEV)
  1339  (JSmol)                19.0      -92.9       17.8   23.9   (mu-2-2,6-bis(h5-Cyclopentadienylmethyl)pyridine)-bis(2,6-bis(h5-cyclopentadienylmethyl)pyridine-N)-di-yttrium dichloromethane solvate (CAWQAT)
  1340  (JSmol)              -920.7    -1011.1       20.0   41.3   trans-Dichloro-pentakis(tetrahydrofuran)-yttrium(iii) trans-tetrachloro-bis(tetrahydrofuran)-yttrium(iii) (PEHJAN01)
  1341  (JSmol)  -263.0      -267.7     -289.6        0.2   38.2   Arkelite (ZrO2)
  1342  (JSmol)              -619.5     -579.7       27.0   29.1   Ethylenediammonium bis(mu-2-fluoro)-decafluoro-di-zirconium (ENFZRA10)
  1343  (JSmol)  -486.0      -498.0     -467.8        8.2   51.4   Zircon (ZrSiO4)
  1344  (JSmol)     0.0        44.0        -.-       18.2    -.-   Zirconium (Zr) (ICSD 653525) hcp
  1345  (JSmol)  -120.0       -89.5     -510.7       20.6   91.3   Zirconium(ii) dichloride (ZrCl2) (ICSD 20144)
  1346  (JSmol)  -170.0      -153.9     -328.3       39.8   74.6   Zirconium(iii) trichloride (ZrCl3)
  1347  (JSmol)  -529.9      -557.0     -560.5       22.2   15.2   Zirconium(iv) sulfate (ZrS2O8) (ICSD 16001)
  1348  (JSmol)  -456.8      -466.2     -460.9        2.2    7.3   Zirconium(iv) tetrafluoride (ZrF4)
  1349  (JSmol)              -572.6     -524.1       35.4   34.8   bis(Aminoguanidinium) hexafluoro-zirconate(iv) (KOJVAG02)
  1350  (JSmol)               -77.3      -35.4       22.7   17.7   bis(Tetramethylethylenediamine-lithium) hexamethyl-zirconium (JAMWOJ)
  1351  (JSmol)              -709.3     -611.4       33.2   35.7   tris(Guanidinium) heptafluoro-zirconium (DADVIN)
  1352  (JSmol)  -234.3      -247.9     -271.8       57.8   66.9   Zirconium(iv) tetrachloride (ZrCl4) (ICSD 26049)
  1353  (JSmol)              -989.4     -985.4       22.9   26.2   bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
  1354  (JSmol)              -458.4     -359.0       23.0   13.7   bis(Tetraethylammonium) hexachloro-zirconium (JESFIW)
  1355  (JSmol)              -262.7     -256.2       37.9   34.8   Iron hexachlorozirconate (FeZrCl6) (ICSD 39666)
  1356  (JSmol)              -109.1     -395.0       20.2   80.4   Zirconium(iii) tribromide (ZrBr3)
  1357  (JSmol)  -181.8      -200.4     -143.0       34.5    6.5   Zirconium(iv) tetrabromide (ZrBr4) (ICSD 1301292)
  1358  (JSmol)              -211.7     -213.2        8.7   33.0   tetrakis(Acetonitrile-N)-tribromo-zirconium (acetonitrile-N)-pentabromo-zirconium acetonitrile solvate (FINBEJ10)
  1359  (JSmol)              -471.2     -497.1       23.5   29.4   1-Ethyl-3-methylimidazolium hexafluoroniobate-(MESBIW)
  1360  (JSmol)              -804.5     -693.0       18.8   44.5   18-Crown-6-oxonium hexafluoroniobate (SINSAK)
  1361  (JSmol)              -894.1     -850.8       18.8   16.2   Ammonium diaqua-oxo-bis(oxalato-O,O')-niobium(v) trihydrate (AMOXNB)
  1362  (JSmol)     0.0        -5.8       43.7       44.3   31.6   Niobium (Nb) (ICSD 76416) bcc
  1363  (JSmol)              -220.9     -298.4       16.1   61.6   Niobium(iii) trifluoride (NbF3) (ICSD 60246)
  1364  (JSmol)  -210.2      -217.7     -178.2       26.7   69.0   Niobium(v) oxychloride (NbOCl3) (ICSD 412071)
  1365  (JSmol)  -190.6      -183.2     -177.1       28.6   93.7   Niobium(v) pentachloride (NbCl5) (ICSD 300102)
  1366  (JSmol)  -433.5      -422.0     -492.4       71.3   62.8   Niobium(v) pentafluoride (NbF5) (ICSD 26647)
  1367  (JSmol)             -1452.8    -1405.7       11.4   28.0   Trityl hexakis(pentafluorophenoxy)-niobium (QINKIH)
  1368  (JSmol)              -836.3     -841.5       24.4   21.3   bis(h5-Cyclopentadienyl)-(2,2'-bipyridyl-N,N')-niobium bis(hexafluorophosphate) (VOSXUW)
  1369  (JSmol)              -885.8     -904.5       21.8   23.8   catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
  1370  (JSmol)              -565.8     -410.4       15.3   24.2   tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidin-1-yl)-niobium(v) hexafluorophosphate (POFHUO)
  1371  (JSmol)              -167.1     -141.4       29.2   25.9   tris(Diethyl ether)-lithium hexamethyl-niobium(v) (POZJAP)
  1372  (JSmol)              -220.4     -168.9       26.9   21.6   tris(Dimethylamino)cyclopropenylium hexachloro-niobium(v) (KOWGOS)
  1373  (JSmol)              -218.6     -184.1       16.2   28.6   (18-Crown-6-potassium) (h5-cyclopentadienyl)-(h7-heptatrienyl)-niobium (KOSMEK)
  1374  (JSmol)               -38.8     -119.6       18.2   26.8   tetrakis(N,N-Diethyldithiocarbamato-S,S')-niobium(v) bromide (DEDRAF)
  1375  (JSmol)              -154.1     -149.1       13.8   25.2   Niobium(v) pentabromide (NbBr5) (ICSD 67298)
  1376  (JSmol)  -454.0      -431.6     -323.1       16.6   52.6   Niobium(v) pentoxide (Nb2O5) (ICSD 71317)
  1377  (JSmol)              -364.3     -327.9        4.4    9.3   Lithium niobium chloride ((Nb6Cl12)Cl2 (LiCl)2) (ICSD 50232)
  1378  (JSmol)              -507.2     -479.8       29.2   16.7   Potassium niobium chloride ((Nb6Cl12)Cl2 (KCl)4) (ICSD 41118)
  1379  (JSmol)              -419.8     -447.5        1.0   23.2   Potassium niobium bromide ((Nb6Br12)Br2 (KBr)4) (ICSD 49667)
  1380  (JSmol)              -622.0     -614.6       19.3   26.1   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrachloro-molybdenum (JOKGOF01)
  1381  (JSmol)              -608.2     -532.2       42.5   45.4   Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
  1382  (JSmol)              -342.8     -310.3       14.0   30.8   Lithium molybdate (Li2MoO4) (ICSD 92904)
  1383  (JSmol)              -114.1     -145.5       18.4   15.0   Mo(IV)(CN)8 (PYCMOA)
  1384  (JSmol)     0.0        -3.3    -1253.1       18.8   96.4   Molybdenum (Mo) (ICSD 643958) bcc
  1385  (JSmol)   -56.2       -43.6     -807.7       31.0   73.5   Molybdenum disulfide (MoS2) (ICSD 601647)
  1386  (JSmol)  -234.9      -226.0     -259.4       32.2   10.8   Molybdenum hexacarbonyl (Mo(CO)6) (ICSD 30809)
  1387  (JSmol)              -291.5     -304.8       28.0   38.3   Molybdenum oxide dihydrate(MoO5H4)
  1388  (JSmol)              -122.5     -163.6       28.1   22.1   Molybdenum(V) chloride (MoCl5)
  1389  (JSmol)               -94.8     -549.7       21.5   77.5   Molybdenum(iii) chloride (MoCl3)
  1390  (JSmol)              -163.8     -303.7       13.1   72.5   Molybdenum(iii) trifluoride (MoF3)
  1391  (JSmol)  -372.3      -380.6        -.-       44.8    -.-   Molybdenum(vi) hexafluoride (MoF6) (ICSD 36219)
  1392  (JSmol)  -178.1      -182.5     -183.7       41.5   34.2   Molybdenum(vi) trioxide (MoO3)
  1393  (JSmol)  -350.9      -341.6     -324.9       10.0   41.8   Sodium molybdate (Na2MoO4) (ICSD 151970)
  1394  (JSmol)              -154.2     -142.5       15.1   12.3   Tetra-n-butylammonium h5-cyclopentadienyl-tricarbonyl-molybdenum (BATCOM)
  1395  (JSmol)              -717.2     -855.2       15.7   51.7   Tri-sodium hexakis(formato-O)-molybdenum(iii) (GICNAH)
  1396  (JSmol)               -66.5      -51.7       19.1   10.8   Trichloro-tris(pyridine) molybdenum (CLPYMO10)
  1397  (JSmol)              -329.5     -295.3       10.6   12.4   Trichloro-tris(urea)-molybdenum (BOHYEC)
  1398  (JSmol)              -312.0     -281.9       22.7   22.9   bis(Guanidinium) orthomolybdate (BAGPEE)
  1399  (JSmol)               -88.9      -72.6       34.9   27.8   bis(Methylammonium) tetrathiomolybdate(vi) (ADEGEW)
  1400  (JSmol)              -409.7     -263.2       59.7   19.8   bis(Morpholinium) diaqua-hexachloro-di-molybdenum(ii) (BELWAQ)
  1401  (JSmol)              -314.8     -290.5       15.7   25.6   bis(Propane-1,3-diammonium) octachloro-di-molybdenum tetrahydrate (ZAXLIT)
  1402  (JSmol)               -86.4     -102.6       14.2    8.6   bis(Triethylammonium) bis(mu-2-sulfido)-(ethane-1,2-dithiolato-S,S')-disulfido-di-molybdenum(v) (DOLPAV)
  1403  (JSmol)               -16.2      -14.6        9.2   13.4   bis(Triethylammonium) dioxonium octacyano-molybdenum(iv) (TEAMOC)
  1404  (JSmol)              -400.0     -480.1       18.5   24.7   bis(p-Cyclopentadienyl)hydroxy-methylamino molybdenum(iv) hexafluorophosphate (CHAMOF)
  1405  (JSmol)              -444.2     -474.5       14.0   15.9   p-Cycloheptatrienylium-tricarbonyl-molybdenum(0) tetrafluoroborate (CYHMOC10)
  1406  (JSmol)              -203.4     -236.8       27.9   45.1   tetrakis(mu-2-Acetato)-di-molybdenum (MOLACE02)
  1407  (JSmol)  -358.2      -314.3     -372.6       32.3   13.7   Potassium molybdate (K2MoO4) (ICSD 16154)
  1408  (JSmol)              -392.2     -441.8       10.4   30.1   K3MoCl6
  1409  (JSmol)              -393.7     -470.5       15.6   42.8   Potassium hexachloromolybdate(III) (K3MoCl6) (ICSD 22134)
  1410  (JSmol)  -256.9      -240.0     -355.6       26.6   23.9   Iron molybdate (FeMoO4) (ICSD 312170)
  1411  (JSmol)               -19.6     -108.0       19.2   32.5   Molybdenum(iii) tribromide (MoBr3)
  1412  (JSmol)              -357.8        -.-       68.1    -.-   bis(Morpholinium) diaqua-hexabromo-di-molybdenum(ii) (BELWEU)
  1413  (JSmol)              -550.6     -564.0       18.3   79.1   Oxonium aqua-tetrabromo-oxo-molybdenum 18-crown-6 (KUZTII)
  1414  (JSmol)             88147.4     3040.4       99.8    -.-   Rubidium hexabromomolybdate(iv) (Rb2MoBr6) (ICSD 545162)
  1415  (JSmol)              -317.5     -301.2       23.7   57.0   tris(Pyridinium) tris(mu-2-chloro)-bis(trichloro-molybdenum(iii)) (DISNAU)
  1416  (JSmol)              -520.9        -.-       27.8    -.-   Potassium (mu-2-acetato-O,O')-bis(mu-2-hydroxo)-(mu-2-N,N,N',N'-ethylenediaminetetra-acetato-N,N',O,O',O'',O''')-di-molybdenum(iii) bis(molybdenum(iii)) (HAENMO)
  1417  (JSmol)             -2190.4    -2154.1       12.7   11.6   Keggin (PIJFUJ)
  1418  (JSmol)     0.0         4.5      184.2       27.0   95.1   Technetium (Tc) (ICSD 653014) hcp
  1419  (JSmol)               -14.6      -44.6       26.3   76.8   Technetium(iv) tetrachloride (TcCl4) (ICSD 26055)
  1420  (JSmol)              -294.8     6937.9       35.4    -.-   Technetium(vi) hexafluoride (TcF6) (ICSD 1211848)
  1421  (JSmol)              -137.7     -148.6       25.0   27.6   Tetramethylammonium pertechnetate (DUGNEY10)
  1422  (JSmol)              -893.2     -723.5       20.4   30.1   bis(1,4,7-Trithiacyclononane-S,S',S'')-technetium bis(tetrafluoroborate) acetonitrile solvate (WACXIH)
  1423  (JSmol)              -228.4     -169.5       22.3   31.3   bis(Trichloro-tris(dimethylsulfoxide)-technetium(iv)) hexachloro-technetate(iv) (JEPQOL)
  1424  (JSmol)              -449.1     -494.3       31.7   35.2   trans-Dichloro-tetrakis(trimethylphosphine)-technetium(iii) hexafluorophosphate (QESMOQ)
  1425  (JSmol)              -736.0     -785.1       15.6   11.2   tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
  1426  (JSmol)              -203.5     -158.9       24.4   55.4   fac-Tricarbonyl-(1,4,7-trithiacyclononane)-technetium(i) bromide (NUMRES)
  1427  (JSmol)              -182.1     -100.3       30.1   32.6   Tetrabutylammonium pentabromo-(tetrahydrothiophene)-technetate(iv) (WAJFUJ)
  1428  (JSmol)              -138.4     -165.9       28.4   34.2   (3,6-Dimethyl-3,6-diazaoctane-1,8-dithiolato-N,N',S,S')-oxo-technetium(v) pertechnetate (GEBLOO)
  1429  (JSmol)             -1113.3    -1191.6       20.7   40.8   Tetra-potassium bis((mu-2-oxo)-bis(oxalato-O,O')-technetium(iv)) trihydrate (SOSSAU)
  1430  (JSmol)              -910.2    -1026.8       41.2   30.1   (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
  1431  (JSmol)     0.0       -19.8      134.2       14.8    -.-   Ruthenium (Ru) (ICSD 650571) hcp
  1432  (JSmol)   -49.0       -41.5      -27.3       51.4   89.8   Ruthenium(iii) trichloride (RuCl3) (ICSD 414040)
  1433  (JSmol)   -72.9       -84.1      -26.6       40.3   91.5   Ruthenium(iv) dioxide (RuO2) (ICSD 84619)
  1434  (JSmol)   -57.2      -155.0     -178.1       55.9   95.4   Ruthenium(viii) tetroxide (RuO4) (ICSD 415303)
  1435  (JSmol)              -575.4     -668.1       29.8   27.7   bis(1,4,7-Trithiacyclononane-S,S',S'')-ruthenium bis(trifluoromethanesulfonate) (FENDUX)
  1436  (JSmol)              -420.0     -319.2       17.1   21.2   bis(1,4-bis(1-Azonia-3-azacyclohexen-2-yl)benzene) hexacyano-ruthenium(ii) octahydrate (WUGSEW01)
  1437  (JSmol)              -162.8     -153.6       16.8   29.8   catena-(bis(2-Amino-6-methylpyridine) hexakis(mu-2-chloro)-potassium-ruthenium(iii)) (SIBPOJ)
  1438  (JSmol)              -668.3       25.2       29.0   79.9   cis-Difluoro-bis(1,2-bis(dimethylphosphino)ethane)-ruthenium hydrofluoride (QIWPUH)
  1439  (JSmol)              -495.1     -503.2       26.9   14.5   hexakis(Imidazole)-ruthenium(ii) bis(trifluoromethanesulfonate) (BIXCEQ)
  1440  (JSmol)              -688.8     -709.9       27.9   25.9   hexakis(Thiourea-S)-ruthenium(ii) bis(trifluoromethanesulfonate) (SIZZAC)
  1441  (JSmol)               -95.4     -148.9       20.6   18.4   meso-bis(1,4,7-Trithiacyclodecane)-ruthenium(ii) diperchlorate (TAZWOG)
  1442  (JSmol)              -362.7     -235.0       36.0   34.6   tetrakis(Dimethylammonium) hexachloro-ruthenium(iii) chloride (ENIDAG)
  1443  (JSmol)              -768.3     -815.3       22.0   17.7   tris(2,2'-Bipyridine)-ruthenium(ii) bis(hexafluorophosphate) (BPYRUF10)
  1444  (JSmol)   -33.0       -42.4       21.7       49.3   90.3   Ruthenium(iii) tribromide (RuBr3) (ICSD 413691)
  1445  (JSmol)              -135.2      -55.8       15.4   27.8   tris(1-Ethyl-3-methylimidazolium) tris(mu-2-bromo)-bis(tribromo-ruthenate(iii)) (DIVGOE10)
  1446  (JSmol)     0.0         5.7     -108.6       47.5   58.0   Rhodium (Rh) (ICSD 52064) fcc
  1447  (JSmol)               -21.9     -554.6       39.9   80.3   Rhodium(V) pentafluoride (RhF5) (ICSD 10173)
  1448  (JSmol)   -71.5       -28.2       71.5       29.4   62.8   Rhodium(iii) trichloride (RhCl3) (ICSD 25764)
  1449  (JSmol)                 6.6        -.-       18.2    -.-   Rhodium(iii) trifluoride (RhF3) (ICSD 62262)
  1450  (JSmol)                -4.7     -511.4       44.3   91.0   Rhodium(vi) hexafluoride (RhF6) (ICSD 1300606)
  1451  (JSmol)              -257.6     -137.7       30.2   37.8   bis(Dimethylglyoximato)diammine-rhodium(iii) bis(dimethylglyoximato) dichloro-rhodium(iii) tetrahydrate (ACGXRH)
  1452  (JSmol)              -928.8     -714.3       25.1   25.8   bis(mu-2-Hydroxo)-octa-aqua-di-rhodium(iii) tetrakis(mesitylsulfonate) octahydrate (VIPHAD01)
  1453  (JSmol)              -375.9     -112.0       47.2   35.4   tris(Guanidinium) hexachloro-rhodium(iii) monohydrate (NAMLES)
  1454  (JSmol)                 6.5      103.1       13.6   58.1   Rhodium(iii) tribromide (RhBr3) (ICSD 28245)
  1455  (JSmol)              -157.3     -114.9       19.7   41.2   tris((+-)-2,3-Butanediamine)-rhodium(iii) tribromide (CIFPOW)
  1456  (JSmol)              -261.5     -632.6       20.8   86.6   bis(1,2-Diammonioethane) hexabromo-rhodium(iii) bromide monohydrate (ZOKHEM)
  1457  (JSmol)   -82.0       -90.2    -1177.2       20.7   95.5   Rhodium(iii) oxide (Rh2O3) (ICSD 108941)
  1458  (JSmol)                97.0      -20.9       24.9   74.3   Tetrathiacyclotetradecane-S,S',S'',S''')-rhodium(i) chloride acetonitrile solvate (DAHHEZ)
  1459  (JSmol)              -396.3     -201.3       15.4   66.7   tris(mu-2-Chloro)-bis((h5-pentamethylcyclopentadienyl)-rhodium(iii)) tetrafluoroborate (ASUKOO)
  1460  (JSmol)                52.5       51.0       17.9   89.9   Bromo-methyl-bis(carbonyl-cyclopentadienyl-rhodium) (MLDRHB10)
  1461  (JSmol)                25.6       48.1        7.9   33.9   Ammonium bis(1,2-dicyanoethylene-1,2-dithiolato-S,S')-palladium monohydrate (SAHFOW)
  1462  (JSmol)              -128.2     -110.3       59.0   28.4   Diammonium bis((mu-2-carbonyl)-dichloro-palladium(i)) (LUPHOT)
  1463  (JSmol)               -31.5      110.9       27.5   20.6   Diethylammonium tetracyanopalladate (EATCPD)
  1464  (JSmol)     0.0         4.6       44.5       49.4   72.4   Palladium (Pd) (ICSD 648680) fcc
  1465  (JSmol)    -9.6       -10.2      -41.1       20.8   65.3   Palladium(ii) chloride (PdCl2)
  1466  (JSmol)              -114.0      -84.3       46.7    4.2   Palladium(ii) fluoride (PdF2)
  1467  (JSmol)   -20.4       -39.9        2.5       37.9   32.3   Palladium(ii) oxide (PdO) (ICSD 24692)
  1468  (JSmol)   -17.9       -20.4        1.1       36.6   32.0   Palladium(ii) sulfide (PdS) (ICSD 61063)
  1469  (JSmol)              -717.2     -708.1       28.1   62.5   Potassium bis(oxalato-O,O')-palladium(ii) tetrahydrate (POXPDH)
  1470  (JSmol)              -297.4     -330.0       11.3    4.3   Potassium hexachloropalladate(iv) (K2PdCl6) (ICSD 65037)
  1471  (JSmol)              -205.8     -172.5       30.9   24.5   Tetra-azacyclotetradecane-palladium(ii) diperchlorate (BUXSIW10)
  1472  (JSmol)              -734.7     -642.7       23.3   21.8   Tetrakis(Acetonitrile)-palladium(ii) bis(tetrafluoroborate) (KUXSIF)
  1473  (JSmol)              -153.8     -130.3       42.3   29.5   bis(Guanidinium) tetrachloro-palladium(ii) (DILJEN)
  1474  (JSmol)              -121.6      -94.5       28.2   13.4   bis(Imidazolium) tetrachloro-palladium(ii) (RORVOJ)
  1475  (JSmol)              -242.9     -193.0       26.1   21.1   tris(Trimethylammonium) tetrachloro-palladium chloride (BIJNIR)
  1476  (JSmol)               -70.3        -.-       29.9    -.-   Palladium(ii) bromide (PdBr2)
  1477  (JSmol)              -117.9     -137.3       16.3   20.9   bis(Dimethylammonium) tetrabromo-palladium(ii) (FETHOB)
  1478  (JSmol)              -637.6     -630.1       25.0   16.8   Deca-azonia-30-crown-10 tetrachloro-palladium(ii) clathrate bis(tetrachloro-palladium(ii)) tetrachloride (JEJHIP10)
  1479  (JSmol)              -154.7     -558.5       39.8   53.9   (1,1,3,3-Tetraoxo-1,3,2-benzodithiazolido)-acetonitrile-silver(i) (WAKMAW)
  1480  (JSmol)              -179.2     -597.2       77.9   85.1   (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
  1481  (JSmol)               -58.5     -472.7       23.7   70.0   (6-Methyl-2-pyridinecarboxylato-N,O)-(6-methyl-2-pyridinecarboxylic acid-N,O)-silver(i) (UBEGOX)
  1482  (JSmol)              -421.2     -852.4       74.5   87.1   (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
  1483  (JSmol)                84.4     -379.3       29.3   81.6   (Nitrato-O)-bis(pyridine-4-carbonitrile-N)-silver(i) (FOHJIV)
  1484  (JSmol)               -52.7     -510.5       36.9   96.7   (mu-2-Phthalato-O,O')-diammine-di-silver(i) (RABVUL)
  1485  (JSmol)              -340.6    -1065.4       74.7   92.7   Acetonitrile-perfluoroisopropyl-silver (DUJXEL)
  1486  (JSmol)                -0.3     -387.0       40.5   72.1   Ammine-(2,2'-bipyridine)-silver(i) nitrate (KUQPOC)
  1487  (JSmol)              -107.4     -661.8       75.2   82.1   Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
  1488  (JSmol)               127.8       85.3       23.6   36.2   Bis(cyanido)(ethane-1,2-diamine-N,N')silver(ii) (SILKEE)
  1489  (JSmol)               -14.5     -209.8       45.0   73.7   Chloro-trithia-9-crown-3-silver(i) (JAVWIM)
  1490  (JSmol)                46.7       12.2       48.2   51.7   Cyano-(ethane-1,2-diamine)-silver(i) (FILSEZ)
  1491  (JSmol)                38.4     -165.8       49.8   97.0   Cyano-bis(piperidine-N)-silver(i) (JEYDIB)
  1492  (JSmol)              -247.6     -385.0       65.5   85.4   Dinitrato-(2,2'-bipyridyl) silver(ii) (NDPYAG)
  1493  (JSmol)              -114.8     -471.0       21.9   66.7   Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
  1494  (JSmol)              -280.3     -988.5       81.1    -.-   Potassium silver carbonate (KAgCO3) (ICSD 1903697)
  1495  (JSmol)     0.0         7.5       13.7       78.3   96.0   Silver (Ag) (ICSD 64706)
  1496  (JSmol)                32.8       62.4       85.2   85.7   Silver cyanide (AgCN)
  1497  (JSmol)   -29.7        -6.9     -818.9       26.3   97.9   Silver nitrate (AgNO3)
  1498  (JSmol)                17.3     -592.6       49.1   85.7   Silver nitrate-pyrazine complex (AGPYRZ)
  1499  (JSmol)   -30.4       -16.3       21.2       36.6   91.7   Silver(i) chloride (AgCl)
  1500  (JSmol)   -48.9         9.9     -256.1       92.5   93.5   Silver(i) fluoride (AgF)
  1501  (JSmol)               -20.9     -513.3        0.4   52.6   bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
  1502  (JSmol)                67.6     -167.2       43.4   90.8   bis(2-Imidazolidinethione-S)-(thiocyanato-S)-silver(i) (SCYNAG01)
  1503  (JSmol)               -87.3     -458.6       53.9   65.3   bis(3-Hydroxypyridine-N)-(nitrato-O,O')-silver(i) (MAPNEX)
  1504  (JSmol)                -0.6     -292.5       42.7   90.6   bis(5,7-Dimethyl-1,8-naphthyridin-2(1H)-one)-di-silver(i) (HEVXOW)
  1505  (JSmol)              -277.5     -538.8       44.4   84.2   bis(Cyclo-octadiene)-silver(i) tetrafluoroborate (OCDAGB)
  1506  (JSmol)              -118.8     -615.2       68.8   89.6   bis(Dihydroxybenzoato)-di-silver(i) (KAMTUN)
  1507  (JSmol)              -341.8     -795.9       24.6   76.0   bis(Pyridine-2,6-dicarboxylato)-silver(ii) monohydrate (PYRCAG)
  1508  (JSmol)                 2.5     -234.8       28.0   91.5   bis(chloro-(1,3,4,5-tetramethylimidazol-2-ylidene)-silver(i)) (HEBMIL)
  1509  (JSmol)              -160.0     -419.5       94.0   92.6   bis(mu-2-2-Hydroxybenzoato-O,O')-di-silver(i) (KAMTOH03)
  1510  (JSmol)               -40.3     -495.9       71.0   76.4   bis(mu-2-6-Isopropyltropolonato-O,O')-di-silver(i) (IPACEH)
  1511  (JSmol)               -20.3     -256.3       66.4   96.2   bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
  1512  (JSmol)              -120.3     -425.1       92.9   88.2   bis(mu-2-Benzoato-O,O')-di-silver(i) (BZOAGA)
  1513  (JSmol)              -121.0     -504.2       55.1   88.0   bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
  1514  (JSmol)              -206.0    -1019.0       81.5   92.8   bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
  1515  (JSmol)              -142.5     -352.9       92.1   91.3   bis-(mu-2-2,6-Dihydroxybenzoato)-silver(i) (LAYCOD)
  1516  (JSmol)               -37.6       23.1       13.8   30.3   catena(bis(mu-2-Adiponitrile-N,N')-silver(i) perchlorate) (AGPADP)
  1517  (JSmol)               -69.1     -570.6       18.1   43.4   catena-((mu-3-cis,trans-1,3,5-Triaminocyclohexane)-silver(i) perchlorate) (ABIREJ)
  1518  (JSmol)                -0.7     -171.0       35.3   78.2   chloro-(1,3-bis(adamantyl)imidazol-2-ylidene)-silver(i) (HEBMUX)
  1519  (JSmol)                -1.5        -.-       81.4    -.-   cis,cis,cis-1,4,7-Cyclononatriene silver nitrate complex (CNTAGN10)
  1520  (JSmol)                 4.1     -490.8       59.8   75.5   di-pyridine-silver(i) perchlorate (NEVRAI)
  1521  (JSmol)              -310.5    -1268.8       73.7   98.0   tetrakis((mu-2-trans-Perfluoro-1-methyl-1-propenyl)-silver) (LAJJEL)
  1522  (JSmol)              -408.8    -1227.7       43.4   92.1   Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
  1523  (JSmol)              -666.5     -758.1       30.5   54.9   bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
  1524  (JSmol)   -24.0        -6.9       33.0       34.9    -.-   Silver(i) bromide (AgBr)
  1525  (JSmol)              -151.0    -1143.2       41.7   87.8   (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
  1526  (JSmol)              -692.1    -1752.4       63.8   88.9   (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
  1527  (JSmol)              -152.2    -1227.0       47.9   93.8   (mu-2-Hydrogen 1H-imidazole-4,5-dicarboxylate-N,N')-bis(ammine)-di-silver(i) (DUKMOM01)
  1528  (JSmol)               111.1     -231.6       50.7   95.9   (mu-2-Propane-1,3-diamine)-dicyano-di-silver(i) (FILSOJ)
  1529  (JSmol)              -285.5    -1155.2       68.9   85.8   (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
  1530  (JSmol)  -120.9      -216.9     -857.9       98.4   91.4   Silver carbonate (Ag2CO3)
  1531  (JSmol)  -171.1      -211.2    -1157.4       79.6   93.5   Silver sulfate (Ag2SO4) (ICSD 27655)
  1532  (JSmol)              -162.4      -28.3       94.8   92.2   Silver(i) oxide (Ag2O) (ICSD 281041)
  1533  (JSmol)              -209.7        -.-       59.9    -.-   Silver(i) syn-anti-methane-disulfonate (MEDSUL)
  1534  (JSmol)  -160.9      -152.1        -.-       92.4    -.-   catena((mu-6-Oxalato)-di-silver) (AGOXAL)
  1535  (JSmol)               111.6     -472.2       39.7   63.9   tetrakis(mu-2-1,3,4,6,7,8-Hexahydropyrimido(1,2-a)pyrimidinato)-tetra-silver(i) (UMIFEB)
  1536  (JSmol)  -174.9      -220.3     -866.7       54.6   92.9   Silver chromate (Ag2CrO4) (ICSD 160644)
  1537  (JSmol)               -68.5     -281.4       29.5   91.8   Tetramethylammonium catena-((mu-4-bromo)-bis(mu-2-bromo)-di-silver(i)) (FAGGOJ)
  1538  (JSmol)                51.4     -773.9       89.3   96.9   Acetylide-octa-silver hexanitrate (SOVNEW01)
  1539  (JSmol)     0.0         4.7      -13.9       50.7   74.2   Cadmium (Cd) (ICSD 619641) hcp
  1540  (JSmol)   -93.6       -98.9     -155.5       41.5   19.1   Cadmium chloride (CdCl2)
  1541  (JSmol)              -130.2      -66.7       28.7   54.6   Cadmium dinitrate (Cd(NO3)2) (ICSD 297)
  1542  (JSmol)  -167.4      -150.9     -231.2        4.5    6.1   Cadmium fluoride (CdF2)
  1543  (JSmol)  -134.0      -134.1     -307.7       30.4   98.0   Cadmium hydroxide (Cd(OH)2)
  1544  (JSmol)   -61.8       -38.6      -69.4       65.5   53.5   Cadmium oxide (CdO) (ICSD 620206)
  1545  (JSmol)  -223.1      -240.2     -390.8       14.5   81.4   Cadmium sulfate (CdSO4) (ICSD 100317)
  1546  (JSmol)   -38.7       -39.8      -89.4        5.7    3.7   Greenockite (CdS)
  1547  (JSmol)   -38.7       -39.6      -89.8        7.3    5.3   Hawleyite (CdS)
  1548  (JSmol)  -179.4      -177.5     -165.7       16.1   31.5   Otavite (CdCO3)
  1549  (JSmol)              -363.3     -453.1       24.1   77.1   Potassium catena(tris(mu-2-formato)-cadmium) (CAHMUT)
  1550  (JSmol)              -464.3     -422.3       13.7   22.6   Potassium tris(acetylacetonato)-cadmium(ii) monohydrate (KACCDM)
  1551  (JSmol)              -445.0     -455.4       18.6   43.5   catena-(Imidazolium potassium bis(mu-2-oxalato)-cadmium) (MAZYER)
  1552  (JSmol)              -244.5     -285.9       22.6   18.9   catena-(Potassium (mu-4-2-ethylimidazole-4,5-dicarboxylato)-cadmium(ii)) (KOLXAL)
  1553  (JSmol)              -295.2     -363.4       16.7   47.9   catena-(tris(mu-2-Thiocyanato)-cadmium (18-crown-6)-potassium clathrate) (RAPVAF)
  1554  (JSmol)              -551.0     -701.0       57.3   50.5   bis(15-Crown-5-sodium) bis(tetraselenido)-cadmium (SANBEO)
  1555  (JSmol)   -75.6       -71.7        -.-       34.3    -.-   Cadmium bromide (CdBr2)
  1556  (JSmol)              -492.0     -452.4       22.0   20.1   (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
  1557  (JSmol)              -210.2     -166.6       11.9   21.1   (18-Crown-6)-potassium bis(pyridine)-tetrakis(isothiocyanato)-indium(iii) pyridine solvate (YUXXIY)
  1558  (JSmol)     0.0       -16.8       33.3       36.0   77.0   Indium (In) (ICSD 1711679)
  1559  (JSmol)              -130.7     -127.6       17.1   14.2   Indium trichloride (InCl3) (ICSD 1300752)
  1560  (JSmol)              -265.9     -227.4       62.2    7.1   Indium trifluoride (InF3) (ICSD 38306)
  1561  (JSmol)              -274.6     -234.6       18.5   16.3   Tetra-n-butylammonium tetrachloro-indium (BEFFOH)
  1562  (JSmol)             -1106.0    -1118.1       13.8   48.7   Tri-potassium bis(nitrilotriacetato)-indium(iii) pentahydrate (ZUFXAZ)
  1563  (JSmol)              -622.5     -592.6       16.3   24.5   catena-(Guanidinium bis(mu-2-sulfato-O,O')-diaqua-indium(iii)) (SISPOA)
  1564  (JSmol)              -643.5     -634.3       11.8   15.2   catena-(hexakis(mu-2-Oxalato)-hexa-aqua-tetra-indium tetradecahydrate) (BAPMIP)
  1565  (JSmol)              -444.3     -378.4       16.3   18.8   tetrakis(Dimethylammonium) hexachloro-indium(iii) chloride (FUVCAA)
  1566  (JSmol)              -512.0     -452.4       14.3    7.9   tris(Guanidinium) hexafluoro-indium(iii) (BUYFUW02)
  1567  (JSmol)             -1038.9    -1013.7       20.1   17.3   tris(Piperazinediium) bis(tris(pyridine-2,6-dicarboxylato-N,O,O')-indium(iii)) dodecahydrate (KEQGUJ)
  1568  (JSmol)               -28.9       71.9        7.5    6.5   tris(Tetraethylammonium) tris-(1,2-dicyanoethylene-1,2-dithiolato) indate(iii) (EACEIN)
  1569  (JSmol)   -14.0       -14.3      -20.9        0.5    7.4   Indium arsenide (InAs)
  1570  (JSmol)              -416.7     -419.1       38.2   45.4   Indium hexafluoroarsenate (InAsF6) (ICSD 417952)
  1571  (JSmol)               -16.4      -26.0       33.7   15.7   Dimethylindium bromide (DMINBR)
  1572  (JSmol)  -102.5       -98.7     -127.4       11.2   20.3   Indium tribromide (InBr3) (ICSD 65198)
  1573  (JSmol)               -38.9      -61.9       13.2   18.2   Tribromo-tris(pyridine)-indium(iii) pyridine solvate (BEHWEQ)
  1574  (JSmol)              -220.2     -207.6       10.7   13.6   Tetra-n-butylammonium tetrabromo-indium (BEFGEY)
  1575  (JSmol)              -829.9     -760.4       23.9   20.1   catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
  1576  (JSmol)  -221.3      -228.6     -219.8        8.3    4.4   Indium(iii) oxide (In2O3) (ICSD 14388)
  1577  (JSmol)              -535.6     -331.3       27.0   18.4   catena-(Di-n-propylammonium tris(mu-3-sulfido)-heptakis(mu-2-sulfido)-mercapto-hexa-indium) (JIWQUB)
  1578  (JSmol)              -387.0     -345.0       32.5   13.8   (Pentamethyl-cyclopentadienyl)-tin tetrafluoroborate (PMCPSN10)
  1579  (JSmol)              -533.7     -508.5       16.3   16.2   15-Crown-5 diaqua-tetrachloro-tin(iv) (FANRUH)
  1580  (JSmol)  -138.1      -106.8      -65.8        6.8   25.5   Cassiterite (SnO2)
  1581  (JSmol)              -302.8     -299.5       24.8   18.2   Diammonium tetrafluoro-dimethyl-tin(iv) (LEVHUP)
  1582  (JSmol)              -576.5     -637.0       55.0   27.9   Potassium bis(oxalato)-tin(ii) monohydrate (KSNOXL)
  1583  (JSmol)              -619.7     -787.8       28.3   43.1   Potassium hexafluorostannate (K2SnF6) (ICSD 376982)
  1584  (JSmol)     0.0        -4.5      -95.2       63.1   94.0   Tin (Sn) (ICSD 652713)
  1585  (JSmol)     0.0        -6.8       12.9       67.1   27.2   Tin (cubic) (Sn) (ICSD 76040)
  1586  (JSmol)   -77.7       -62.4      -57.7       33.1   48.2   Tin(ii) chloride (SnCl2)
  1587  (JSmol)              -192.3     -151.3       72.2   27.6   Tin(ii) fluoride (SnF2)
  1588  (JSmol)   -67.1       -76.3      -27.6       53.8   43.2   Tin(ii) oxide (SnO) (ICSD 16481)
  1589  (JSmol)              -281.9     -280.6       46.2   20.2   Tin(iv) tetrafluoride (SnF4) (ICSD 78894)
  1590  (JSmol)              -580.8     -620.7       18.0   21.1   bis(3-Carboxyanilinium) hexafluorostannate(iv) (FICWAQ)
  1591  (JSmol)              -315.4     -256.7       18.9   16.0   bis(Trimethylammonium) hexachloro-tin(iv) (CADNOK)
  1592  (JSmol)              -437.9     -526.7       16.0   13.9   catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
  1593  (JSmol)              -458.4     -384.1       33.1   15.2   catena-hexakis(mu-2-Chloro)-(h6-benzene)-dichloro-aluminium-tin benzene solvate (BENZSN10)
  1594  (JSmol)               -59.6      -46.2       45.8   36.2   Tin selenide (SnSe) (ICSD 52426)
  1595  (JSmol)               -33.5      -80.4       29.2   45.5   Tin(iv) diselenide (SnSe2) (ICSD 43594)
  1596  (JSmol)   -58.2       -71.1      -40.4       79.6   42.4   Tin (ii) bromide (SnBr2)
  1597  (JSmol)   -90.1       -98.9     -104.6       25.5   30.4   Tin(iv) tetrabromide (SnBr4) (ICSD 51570)
  1598  (JSmol)              -191.0     -216.4       14.2   23.8   bis(Dimethylammonium) hexabromo-tin(iv) (BUJPUR)
  1599  (JSmol)              -811.6     -755.2       13.2    9.4   Calcium bis(tris(acetato) tin(ii)) (TACSNC)
  1600  (JSmol)               -98.7      -68.8       21.1    8.1   Terpyridyl(dimethyl)chlorotin(iv) dimethyl(trichloro)stannate(iv) (SNTPYR10)
  1601  (JSmol)              -546.2     -526.2       23.2   49.0   bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
  1602  (JSmol)              -196.2     -131.3       22.1   31.5   catena(bis(Tetraethylammonium) (mu-3-thio)-hexakis(mu-2-thio)-tri-tin(iv)) (GIRHIY)
  1603  (JSmol)              -370.0     -288.3        9.5   13.1   catena-(bis(Tetramethylammonium) (mu-3-sulfido)-hexakis(mu-2-sulfido)-tri-tin monohydrate) (YAZNOC)
  1604  (JSmol)              -592.3     -612.4       20.0   34.5   (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
  1605  (JSmol)              -264.4     -248.1       31.9   32.6   (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
  1606  (JSmol)              -387.6     -383.5       34.2   37.2   1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
  1607  (JSmol)               -44.7      -47.6       19.2   27.5   2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
  1608  (JSmol)   -23.0       -83.3      -65.8       82.7   14.7   Aluminum antimonide (AlSb)
  1609  (JSmol)     0.0       -16.2      -24.5       19.3   35.0   Antimony (Sb) (ICSD 651499)
  1610  (JSmol)   -91.3       -95.8      -77.8       14.3   40.1   Antimony trichloride (SbCl3) (ICSD 8258)
  1611  (JSmol)  -218.8      -239.3     -219.5       27.6   52.5   Antimony(iii) fluoride (SbF3)
  1612  (JSmol)              -116.1      -91.4       19.5   19.0   Antimony(v) chloride (SbCl5)
  1613  (JSmol)              -118.3     -102.1       23.8   17.8   Antimony(v) pentachloride (SbCl5) (ICSD 250363)
  1614  (JSmol)              -494.5     -464.8       23.0   27.9   Lithium hexafluoroantimonate (LiSbF6) (ICSD 23924)
  1615  (JSmol)              -474.4     -599.8       13.2   64.9   Potassium hexafluoroantimonate (KSbF6) (ICSD 632)
  1616  (JSmol)              -450.7     -575.8       14.1   67.9   Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
  1617  (JSmol)              -110.2      -75.8       26.4   34.7   Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
  1618  (JSmol)              -475.5     -473.2       39.7   39.9   beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
  1619  (JSmol)              -484.4     -416.5       31.8   42.7   bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
  1620  (JSmol)              -405.5     -515.5       43.8   31.2   catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
  1621  (JSmol)              -163.8      -91.9       24.5   20.3   catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
  1622  (JSmol)                 9.0      -18.6       17.0   14.9   tris(1-Pyrrolidinecarbodithioato)-antimony(iii) (PYCTSB)
  1623  (JSmol)               -58.6      -89.5       19.1   18.2   tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
  1624  (JSmol)              -121.7     -119.5       14.0   13.4   Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
  1625  (JSmol)   -62.0       -67.8      -65.4       40.4   30.9   Antimony(iii) bromide (SbBr3)
  1626  (JSmol)               -84.9     -122.0       30.8   41.4   catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
  1627  (JSmol)               -48.2     -105.9       21.8   30.4   (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
  1628  (JSmol)              -456.2     -627.4       45.1   60.5   Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
  1629  (JSmol)              -309.5     -337.4       37.9   65.5   Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
  1630  (JSmol)             -1065.0    -1097.1       15.9   16.5   (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
  1631  (JSmol)              -471.5     -440.2       44.7   52.7   (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
  1632  (JSmol)              -618.4     -539.3       37.1   35.3   Antimony sulfate (Sb2(SO4)3) (ICSD 618)
  1633  (JSmol)  -232.3      -203.3     -273.1       36.3   16.3   Antimony(v) pentoxide (Sb2O5) (ICSD 1422)
  1634  (JSmol)              -829.6     -861.8       31.3   45.3   Di-potassium bis(tartrato)-di-antimony trihydrate (DKSBTR)
  1635  (JSmol)               -51.0      -82.0       50.4   34.1   Stibnite (Sb2S3)
  1636  (JSmol)              -881.5     -913.8       21.9   16.0   bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
  1637  (JSmol)               -58.9      -49.3       12.3    9.7   bis(Dimethyldibromo-antimony)methane (CEHGAX)
  1638  (JSmol)             -1013.7     -987.3       15.1   15.1   Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
  1639  (JSmol)  -338.8      -355.6     -338.5       38.6   13.8   Antimony(iii) trioxide (Sb4O6) (ICSD 16851)
  1640  (JSmol)              -830.3     -856.0       34.4   34.0   Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
  1641  (JSmol)             -1118.8     -886.9       27.0   34.0   tris(18-Crown-6 Diammine potassium) undeca-antimonide ammonia solvate (DELHAE)
  1642  (JSmol)              -305.8        -.-       42.9    -.-   Disodium tellurate (Na2TeO4) (ICSD 1492)
  1643  (JSmol)              -430.9     -413.8       26.9   27.7   Hexamethylpiperidinium heptafluorotellurate (ROLSOA)
  1644  (JSmol)              -230.5     -276.0        8.8   11.1   Telluric acid (Te(OH)6)) (ICSD 2879)
  1645  (JSmol)              -643.0     -686.0       25.7   27.4   Telluric acid bis(glycine) monohydrate (BINFAF10)
  1646  (JSmol)     0.0        -9.7      -23.2       27.7   49.8   Tellurium (Te) (ICSD 96502)
  1647  (JSmol)              -111.8     -119.9       17.9   23.8   Tellurium dioxide (TeO2) (ICSD 62897)
  1648  (JSmol)   -78.1      -139.2      -83.2       59.6   23.3   Tellurium(iv) tetrachloride (TeCl4) (ICSD 411157)
  1649  (JSmol)              -359.4     -358.7       62.8   59.1   Tellurium(iv) tetrafluoride (TeF4) (ICSD 85452)
  1650  (JSmol)              -304.1     -280.3       40.9   14.1   Tellurium(vi) hexafluoride (TeF6) (ICSD 67609)
  1651  (JSmol)                15.4        3.8       32.6   23.9   bis(Tetramethylammonium) di-tellurium (LAXTAF)
  1652  (JSmol)              -233.4     -232.3       26.0   23.9   bis(Trimethylammonium) hexachloro-tellurium(iv) (BEJSAK)
  1653  (JSmol)              -204.2        -.-       29.9    -.-   catena-(hexakis(mu-2-Methanolato)-di-sodium ditelluride) (ZOMWON)
  1654  (JSmol)              -534.0     -555.3       29.6   32.7   tetrakis(Imidazolidine-2-thione)-tellurium(ii) hexafluorosilicate (QAMCAJ)
  1655  (JSmol)              -103.8      -95.8       23.5   25.3   tetrakis(Tetraethylammonium) bis(pentasulfido)tellurate(ii) bis(heptasulfido)tellurate(ii) (CALYET)
  1656  (JSmol)              -308.2     -346.3       45.4   42.7   tetrakis(Thiourea-S)-tellurium(ii) bis(hydrogen difluoride) (ZZZMJK02)
  1657  (JSmol)               -15.5     -198.1        5.2   41.4   Germanium telluride (GeTe) (cubic) (ICSD 600823)
  1658  (JSmol)               -15.9     -189.8       10.2   27.4   Germanium telluride (GeTe) (hexagonal) (ICSD 56041)
  1659  (JSmol)   -45.5       -83.0     -126.7       49.7   57.8   Tellurium(iv) tetrabromide) (TeBr4) (ICSD 1600105)
  1660  (JSmol)   -22.1       -22.1     -463.5        0.0   48.7   Cadmium telluride (CdTe)
  1661  (JSmol)              -456.7     -502.5       31.5   29.1   (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
  1662  (JSmol)              -503.9     -542.2       23.9   20.8   bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
  1663  (JSmol)              -634.5     -638.7       30.5   51.0   Tetrapyridinium bis((mu-2-oxo)-trifluorotellurate(iv)) bis(pentafluorotellurate(iv)) (WAVZID)
  1664  (JSmol)              -536.8     -509.0       22.9   11.9   catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
  1665  (JSmol)                 9.2      -39.6       32.3   33.9   catena-(N-Hexamethylethylenediamine tetrakis(mu-2-tellurium)) (VEHMEA)
  1666  (JSmol)              -267.0     -147.4       29.4   23.4   bis(Dimethyl(phenyl)telluronium) hexachlorotellurate (CIFVET)
  1667  (JSmol)             -1246.0    -2369.8       23.3   78.7   Potassium bis((18-crown-6)-potassium) tritellurido-gallium acetonitrile solvate (SURDAK)
  1668  (JSmol)             -1240.8    -1191.3       17.1   20.8   Tetramethylammonium tetrakis(pentafluorotelluryloxy)borate (CIGFEE)
  1669  (JSmol)                72.6       26.5       48.6   32.4   Tetramethylnaphthobisditellurole carbon disulfide solvate (NUGSEN01)
  1670  (JSmol)              -140.1     -209.4       26.0   37.3   bis(Tetra-n-butylammonium) pentatelluride (CAHJOK)
  1671  (JSmol)             -1543.8    -1989.5       33.6   30.3   Tellurium phosphate (Te8O10(PO4)4) (ICSD 100151)
  1672  (JSmol)                 3.3      -37.7       24.9   16.9   1,2-bis(Iodo)-1,2-diphospha-acenaphthene (GUTJOU)
  1673  (JSmol)               -55.7      -73.2       26.1   22.2   2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
  1674  (JSmol)               -90.5     -129.8       20.6   22.1   4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
  1675  (JSmol)   -48.3       -48.5      -44.6       13.3   34.3   Ammonium iodide (NH4I)
  1676  (JSmol)   -16.2        -1.9      -55.4       18.8   53.1   Copper(i) iodide (CuI)
  1677  (JSmol)              -622.8     -614.1        6.0    5.7   Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1678  (JSmol)               -81.7       -6.6       26.2   28.1   Cyano-bis(ethylene-1,2-diamine)-copper(ii) iodide (LEMVIJ)
  1679  (JSmol)   -55.0       -60.2     -198.8       20.9   59.1   Hydrogen iodate (HIO3) (ICSD 66643)
  1680  (JSmol)                -7.8      -15.6       10.6   51.7   Hydrogen iodide (HI) (ICSD 40251)
  1681  (JSmol)               -32.5      -16.0       47.2   71.6   Iodo-(1,4,7-trithiacyclononane-S,S',S'')-copper(i) (FITDUH)
  1682  (JSmol)   -78.4       -67.0      -84.8       30.0    5.4   KI
  1683  (JSmol)   -64.6       -61.8      -74.5       39.3    0.9   LiI
  1684  (JSmol)              -124.7     -140.5       40.0   14.2   Lithium iodide hydrate (LiI H2O) (ICSD 86231)
  1685  (JSmol)   -68.8       -73.0      -77.7        2.2   33.6   NaI
  1686  (JSmol)   -16.7       -46.8      -62.8       13.4   37.0   Phosphonium iodide (PH4I)
  1687  (JSmol)  -119.0       -80.9     -202.2       41.2   45.8   Potassium iodate (cubic) (KIO3) (ICSD 28545)
  1688  (JSmol)  -119.9       -81.3     -216.7       28.3   49.0   Potassium iodate (hexagonal) (KIO3) (ICSD 97995)
  1689  (JSmol)  -119.8       -81.9     -233.2        2.2   56.6   Potassium iodate (triclinic) (KIO3) (ICSD 20198)
  1690  (JSmol)  -111.7       -95.5     -205.8       16.2   57.0   Potassium periodate (KIO4) (ICSD 83376)
  1691  (JSmol)  -115.2       -90.0     -288.4       44.5   72.2   Sodium iodate (NaIO3) (ICSD 20168)
  1692  (JSmol)  -102.6       -92.4     -249.6       33.6   52.2   Sodium periodate (NaIO4) (ICSD 14287)
  1693  (JSmol)               -50.0      -15.0       10.7   18.1   bis(mu-2-Iodo)-bis(bis(tetrahydrothiophene)-copper(ii)) (FUHCEQ)
  1694  (JSmol)   -75.3       -77.4      -82.7       29.2    1.0   p-Iodobenzoic acid (BENMOW04)
  1695  (JSmol)               -21.6        2.0       25.4   35.1   Trimethylarsonium iodide (HAs(Me)3 I)
  1696  (JSmol)               -30.7       13.5       32.2   51.7   Trimethylselenonium iodide (METSEI01)
  1697  (JSmol)   -79.8       -84.1      -68.5       28.2   31.0   RbI
  1698  (JSmol)              -100.7      -88.0       35.4   47.8   Rubidium iodate (RbIO3) (ICSD 2825)
  1699  (JSmol)               -97.0     -127.5       37.4   55.0   Rubidium iodate hexagonal (RbIO3) (ICSD 1401730)
  1700  (JSmol)              -396.3     -284.8       27.0   32.2   bis(mu-2-Periodato)-bis(18-crown-6)-di-rubidium (JODBUA)
  1701  (JSmol)              -247.1     -208.2        3.5    5.4   Niobium chloride iodide ((Nb6Cl12)I2) (ICSD 65968)
  1702  (JSmol)              -182.1     -183.1       35.2   25.6   Trimethylenediamine-dioxo-technetium(v) iodide monohydrate (NIPRIN)
  1703  (JSmol)              -101.8     -133.3       15.9   23.8   trans-Dioxo-bis(ethylenediamine)-technetium iodide (BEWREA)
  1704  (JSmol)               -35.6        -.-       60.0    -.-   Silver iodate (AgIO3) (ICSD 14100)
  1705  (JSmol)                -7.2    -1040.7       74.3   94.1   Silver periodate (AgIO4)
  1706  (JSmol)   -14.8        -1.4       56.5        1.1    -.-   Silver(i) iodide (AgI)
  1707  (JSmol)               -21.6      -37.1       37.0   20.1   Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
  1708  (JSmol)               -46.7      -66.5       28.4   20.4   bis(mu-2-Tellurido)-tetrakis(1,2-diaminoethane-N,N')-di-indium(iii) bis(iodide) (BOKLET)
  1709  (JSmol)               -55.8     -224.1       23.3   31.8   2,8-dioxo-4,6-diphenyl-4-diioda-3,5,7-trioxanonane (AHORIZ)
  1710  (JSmol)              -167.3     -314.0       23.2   23.9   4,6-diphenyl-4l3,6l3-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide (BACCUF)
  1711  (JSmol)              -140.1     -105.2       23.4   92.8   Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
  1712  (JSmol)   -46.0       -50.7      -58.4       13.3   28.4   Beryllium diiodide (BeI2)
  1713  (JSmol)  -127.5      -112.1     -112.8       16.7   28.2   Calcium diiodide (CaI2)
  1714  (JSmol)               -96.6       38.4       15.3   88.0   Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
  1715  (JSmol)   -22.2       -72.7     -224.0       11.4    -.-   Cobalt(ii) diiodide (CoI2) (ICSD 557169)
  1716  (JSmol)              -366.5      -72.0        9.2   83.2   Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
  1717  (JSmol)                20.3      -33.1       16.7   18.3   IX (XATMIP)
  1718  (JSmol)     0.0         1.8      -37.0       29.1   46.4   Iodine (I2)
  1719  (JSmol)              -113.5     -162.8       16.4   12.6   Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  1720  (JSmol)   -27.0       -36.3     -116.7       10.5   40.1   Iron(ii) diiodide (FeI2)
  1721  (JSmol)   -87.0       -82.4      -88.4       21.2   18.2   Magnesium diiodide (MgI2)
  1722  (JSmol)               -84.3       32.6       46.7   18.5   Manganese(ii) diiodide (MnI2)
  1723  (JSmol)   -18.7       -18.2      -59.1       19.9   30.1   Nickel(ii) iodide (NiI2)
  1724  (JSmol)               -23.4      -36.2        8.9   34.1   Silicon(ii) iodide (SiI2)
  1725  (JSmol)                22.9     -158.3       54.9   38.4   Vanadium(ii) diiodide (VI2)
  1726  (JSmol)   -49.7       -44.4      -48.9       32.0   22.6   Zinc iodide (ZnI2)
  1727  (JSmol)              -123.6     -128.1       25.0   83.0   bis(Di-iodo-(diethyl ether)-aluminium(ii)) (NIZWIC)
  1728  (JSmol)              -445.3     -375.1       22.9   23.6   tris(1,2-bis(Dimethoxy)ethane-O,O')-iodo-calcium iodide (ULOGAD)
  1729  (JSmol)               -81.4      -81.5       10.5   19.6   bis(mu-2-Isopropylthio-S,S)-tetraiodo-di-gallium (DIGZAU)
  1730  (JSmol)                -9.3      -11.1       38.0   36.7   Me3AsI2 (ZODJOR)
  1731  (JSmol)                -4.6       -4.2       20.6   54.6   1,4-Diselenane bis(iodine) (DSEIOD)
  1732  (JSmol)                68.1       53.9       41.6   59.1   catena-(bis(Methylenedithiotetraselenafulvalene) polyiodide) (IWOFAB)
  1733  (JSmol)  -133.4      -111.4     -116.0       11.7   40.0   Strontium iodide (SrI2)
  1734  (JSmol)              -334.0     -277.2       27.9   28.0   trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
  1735  (JSmol)              -423.9     -381.7       35.1   22.4   tris(1,2-Dimethoxyethane-O,O')-diiodo-strontium(ii) (FOGRUP)
  1736  (JSmol)                49.6       35.2       14.5   10.8   tris(2,2'-Bipyridine)-di-iodo-strontium(ii) 2,2'-bipyridine solvate (TAQQUX)
  1737  (JSmol)               -14.6      -36.6       32.6   50.6   Palladium(ii) iodide (PdI2)
  1738  (JSmol)               -34.2     -189.3       17.4   72.5   Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
  1739  (JSmol)   -48.6       -38.5      -73.6       20.6   34.5   Cadmium diiodide (CdI2) (ICSD 44791)
  1740  (JSmol)   -34.3       -67.1      -84.7       15.5   38.2   Tin(ii) iodide (SnI2)
  1741  (JSmol)               -35.9      -55.4       28.2   11.3   catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
  1742  (JSmol)               -19.8     -161.6       40.7   42.1   1,3-di-t-butyl-2,4,5-triiodo-2,4,5-triphosphabicyclopentane iodine (BOCROB)
  1743  (JSmol)   -75.0       -74.1      -96.4       19.6   42.3   Aluminum triiodide (AlI3)
  1744  (JSmol)               -39.1      -76.9       35.6   41.1   Ammonium triiodide (NH4I3) (ICSD 2110220)
  1745  (JSmol)               -10.1      -32.1        5.9   35.7   Boron triiodide (BI3) (ICSD 173375)
  1746  (JSmol)   -49.0       -32.4      -99.7       10.8   32.9   Chromium(iii) triiodide (CrI3)
  1747  (JSmol)    43.3        35.8       16.5       12.2   29.9   Iodoform (CHI3) (IODOFO)
  1748  (JSmol)                31.7      -64.0       43.9   38.6   Nitrogen iodide ammonia (N2H3I3) (ICSD 27416)
  1749  (JSmol)   -10.9       -21.7     -127.6        9.5   47.6   Phosphorus(iii) triiodide (PI3) (ICSD 311)
  1750  (JSmol)  -143.4      -143.9     -129.1       33.5   22.3   Scandium(iii) triiodide (ScI3)
  1751  (JSmol)              -106.9     -234.2       41.3   45.8   Titanium(iii) iodide (TiI3)
  1752  (JSmol)              -339.8     -698.3       24.3   42.0   a,e-Diaminocapronic acid iodic acid (HIRMOK)
  1753  (JSmol)                30.5        5.6       12.6   20.7   bis(Dipyridiniomethane) bis(mu-2-iodo)-tetra-iodo-di-copper(i) (DEHKEG)
  1754  (JSmol)                 5.4     -229.2       24.5   20.5   catena-(((((((Hydroxy(phenyl)iodanyl)oxy)(phenyl)-iodanyl)oxy)-sulfonyl)oxy)(phenyl)iodane) (NILXUC)
  1755  (JSmol)              -533.8     -494.3       24.8   17.5   hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
  1756  (JSmol)   -57.1       -47.2      -54.3        4.9   33.9   Gallium triiodide (GaI3) (ICSD 413457)
  1757  (JSmol)               -41.2      -52.6       11.2   26.6   Tri-iodo-methyl-germanium (CUDKIV)
  1758  (JSmol)   -13.9       -29.6      -28.6       19.5   29.7   Arsenic(iii) iodide (AsI3)
  1759  (JSmol)               -70.6      -56.9       19.4   26.0   tris(Iodo)-trimethylarsane-gallium(iii) (TINJAC)
  1760  (JSmol)               -47.1     -173.8       47.4   14.9   Rubidium triiodovanadate(ii) (RbVI3) (ICSD 26455)
  1761  (JSmol)  -143.3      -153.6     -176.8       39.9   26.2   Yttrium(iii) triiodide (YI3) (ICSD 170773)
  1762  (JSmol)   -95.0       -84.3     -442.2       38.7   72.8   Zirconium(iii) triiodide (ZrI3)
  1763  (JSmol)               -21.5      -43.1       46.3   27.3   Niobium(iii) triiodide (NbI3) (ICSD 109145)
  1764  (JSmol)   -29.8       -29.5     -130.5       23.5   55.6   Molybdenum(iii) triiodide (MoI3)
  1765  (JSmol)              -456.8     -431.0       28.3   35.9   18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
  1766  (JSmol)                40.4       36.5       44.8   97.3   Rhodium(iii) triiodide (RhI3) (ICSD 541773)
  1767  (JSmol)   -56.9       -65.8      -85.3       42.5   48.2   Indium triiodide (InI3) (ICSD 1251069)
  1768  (JSmol)               -20.4      -35.4       21.5   76.9   (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
  1769  (JSmol)   -24.0       -13.1      -39.5       37.0   40.0   Antimony(iii) iodide (SbI3)
  1770  (JSmol)              -168.7     -465.6       12.7   34.7   (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
  1771  (JSmol)                59.5       34.5       32.0   30.5   Carbon tetraiodide (ZZZKDW01)
  1772  (JSmol)              -118.7     -151.1       37.7   27.4   Copper(ii) tetrammine duo-diiodide (Cu(NH3)4I2) (ICSD 4072)
  1773  (JSmol)               -15.5     -141.5       20.6   34.2   Methyltri-iodophosphonium iodide (HEDGIG)
  1774  (JSmol)   -45.3       -40.2      -46.7        8.3   28.1   Silicon tetraiodide (SiI4) (ICSD 91745)
  1775  (JSmol)   -89.8      -106.8     -226.0       30.9   35.2   Titanium(iv) tetraiodide (TiI4) (ICSD 39820)
  1776  (JSmol)              -177.5     -249.2       20.7   23.3   Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
  1777  (JSmol)                10.5       14.6       14.4   18.1   bis(4-Cyano-1-methylpyridinium) tetraiodo-zincate (FEYLOL)
  1778  (JSmol)   -33.9       -38.2      -66.2       16.5   35.7   Germanium(ii) iodide (GeI4) (ICSD 67896)
  1779  (JSmol)  -115.1      -144.9     -337.6       33.0   40.5   Zirconium(iv) tetraiodide (ZrI4) (ICSD 8068)
  1780  (JSmol)                64.5       57.8       19.0   77.9   Iodo-di(cyclopentadienyl)-ruthenium tri-iodide (RUTCIT10)
  1781  (JSmol)              -105.0      -35.7       14.7   46.0   Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  1782  (JSmol)              -144.8      -66.4       29.0   24.5   Triethylsulfonium tetrakis(iodo)-palladium(ii) (KIBMUE)
  1783  (JSmol)              -196.4     -153.1        9.0   19.2   Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
  1784  (JSmol)               -82.3      -55.1       30.1   43.0   bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
  1785  (JSmol)               -17.9      -50.0        9.1   46.6   Tellurium(iv) tetraiodide (TeI4) (ICSD 79)
  1786  (JSmol)              -117.8     -101.0        9.2   16.4   bis(Tetraethylammonium) tetraiodo-tellurate(ii) (DAMFIG)
  1787  (JSmol)              -109.6     -201.8       18.3   50.8   tetrakis(Acetonitrile)-di-iodo-titanium tri-iodide (KADVIU)
  1788  (JSmol)   -64.2       -69.3      -81.7       28.5   17.3   Niobium(v) pentaiodide (NbI5) (ICSD 10457)
  1789  (JSmol)               -44.3      -70.9       25.1   21.2   bis(bis(mu-2-Iodo)-(h4-1,3,5-trimethylcyclohexa-2,5-diene-1,4-diyl)-niobium) iodide (ZOWYAL)
  1790  (JSmol)              -567.8       83.3        6.6    9.6   trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
  1791  (JSmol)               117.6       60.4       13.5   21.5   Hexaiodobenzene (HIBENZ11)
  1792  (JSmol)              -733.1     -837.8       17.2   31.8   Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
  1793  (JSmol)              -166.6     -175.2       15.2   18.5   catena-(bis(4-iodobutylammonium) bis(mu-2-iodo)-di-iodo-tin) (BIVLUO)
  1794  (JSmol)                -3.8      -85.7        6.4   33.1   bis(Trimethylammonium) hexaiodo-tellurium(iv) (DIYGOH)
  1795  (JSmol)              -363.8     -305.6       21.2   18.8   Tetra-acetonitrile-tri-iodo-zirconium acetonitrile-penta-iodo-zirconium (FINBAF)
  1796  (JSmol)              -256.0     -278.8       31.3   24.3   Polymeric tris-acetone sodium di-iodide [Na(C3H6O)3I2]n (GADMOO) (2,2,4)
  1797  (JSmol)              -170.3      -86.7       58.7   62.0   Potassium fluorotrioxoxenate (KXeO3F) (ICSD 15219)
  1798  (JSmol)     0.0        -1.6       -8.9       11.2    1.6   Xenon (Xe) (ICSD 9786)
  1799  (JSmol)              -197.7      108.3       57.8   95.7   Xenon difluoride dioxide (XeF2O2) (ICSD 10203)
  1800  (JSmol)              -171.3      104.0       31.8   55.7   Xenon dioxide (XeO2) (ICSD 26625)
  1801  (JSmol)              -169.0       11.8       68.3    -.-   Xenon hexafluoride (XeF6) (ICSD 416320)
  1802  (JSmol)   -62.5       -45.7       12.1       20.6    -.-   Xenon tetrafluoride (XeF4) (ICSD 27467)
  1803  (JSmol)              -108.7       13.8       15.3    -.-   Xenon trifluoride (Xe2F6) (ICSD 18128)
  1804  (JSmol)              -152.7       49.7       70.5   98.9   Xenon trioxide (XeO3) (ICSD 26627)
  1805  (JSmol)              -108.7       13.8       15.3    -.-   Xenon(II) xenon(IV) fluoride (XeF2XeF4) (ICSD 18128)
  1806  (JSmol)              -482.0     -288.5       58.4   78.3   Trifluoroxenon(IV) hexafluoroantimonate (XeF3SbF6) (ICSD 6034)
  1807  (JSmol)     0.0       -33.2      -17.9       70.0   73.4   Cesium (Cs) (ICSD 626969)
  1808  (JSmol)   -99.7      -109.9     -122.0       38.0   25.8   Cesium deuteroxide (CsOD) (ICSD 60971)
  1809  (JSmol)              -351.7     -454.0       33.5   54.7   Cesium dihydrogen phosphate (CsH2PO4) (ICSD 79608)
  1810  (JSmol)              -545.8     -673.9       39.6   61.3   Cesium hexafluorophosphate (CsPF6) (ICSD 1703996)
  1811  (JSmol)                 2.8      -14.2       23.4   19.0   Cesium hydrogen acetylide (CsHC2) (ICSD 107491)
  1812  (JSmol)  -230.9      -216.6     -261.5       25.5   50.0   Cesium hydrogen carbonate (CsHCO3) (ICSD 300259)
  1813  (JSmol)              -171.5     -171.4       19.3   36.0   Cesium hydroxide hydrate (CsOH H2O) (ICSD 280909)
  1814  (JSmol)             -1131.5     -935.5       18.8   57.0   Cesium iron(iii) sulfate dodecahydrate (CsFe(SO4)2 (H2O)12) (ICSD 201213)
  1815  (JSmol)              -104.2     -184.5       26.9   29.8   Cesium nitrate (CsNO3) (ICSD 60579)
  1816  (JSmol)              -111.2     -178.3       35.8   45.8   Cesium perchlorate (CsClO4) (ICSD 63364)
  1817  (JSmol)  -105.9       -86.0     -131.7       39.8    6.0   CsCl
  1818  (JSmol)  -132.3      -115.7     -157.3       12.0    0.6   CsF
  1819  (JSmol)              -264.6     -231.7       34.1   69.9   CsHSO4
  1820  (JSmol)             -2016.9    -2079.4       41.1   49.6   Lithium sodium potassium cesium silicate (Li12Na2KCsSi4O16)
  1821  (JSmol)             -1127.6    -1065.9        5.6   10.4   Picrato-valinomycin-cesium (DOWDAU)
  1822  (JSmol)              -919.0     -896.7       19.6   35.5   Tetramethylammonium cesium (mu-2-fluoro)-aqua-heptafluoro-dioxo-di-vanadium (SARLUS)
  1823  (JSmol)             -1209.8    -1196.3       16.1   32.0   bis(15-Crown-5)-cesium heptafluoro-2,4-bis(trifluoromethyl)pentenide (CAZWUW)
  1824  (JSmol)   -97.0      -116.4     -119.1       10.0    4.8   CsBr
  1825  (JSmol)             -1816.3    -1994.6       27.7   60.5   Cesium tetrakis(hexafluoroacetylacetonato)-yttrate(iii) (CYSFAC10)
  1826  (JSmol)              -228.0     -447.8       22.9   65.2   18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
  1827  (JSmol)               -39.5      -16.3       53.5   51.4   Cesium tetramethylindate (CMEIND)
  1828  (JSmol)              -482.5     -561.1       35.6   62.0   Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
  1829  (JSmol)              -451.9     -583.6       35.5   51.1   Cesium hexafluoroantimonate (CsSbF6) (ICSD 201886)
  1830  (JSmol)               -83.6     -200.1       29.4   42.8   Cesium iodate (CsIO3) (ICSD 61009)
  1831  (JSmol)               -82.8     -150.5       35.1   22.0   Cesium iodate cubic (CsIO3) (ICSD 308773)
  1832  (JSmol)   -82.8       -83.5     -101.4       15.2    4.5   CsI
  1833  (JSmol)              -317.0     -267.8       68.5   98.1   Cesium xenon heptafluoride (CsXeF7) (ICSD 404986)
  1834  (JSmol)              -718.7     -121.4       59.7   88.7   Cesium tris(tetrafluorooxoxenon(VI)) fluoride (Cs(XeOF4)3F) (ICSD 49680)
  1835  (JSmol)  -272.4      -256.1     -354.4       22.1   16.1   Cesium carbonate (Cs2CO3) (ICSD 14156)
  1836  (JSmol)              -338.6     -462.1       19.4   11.1   Cesium chromate (Cs2CrO4) (ICSD 300021)
  1837  (JSmol)   -82.6      -109.3     -159.5       25.5   18.8   Cesium oxide (Cs2O) (ICSD 27919)
  1838  (JSmol)  -344.8      -301.9     -276.9       28.7   44.4   Cesium sulfate (Cs2SO4) (ICSD 1617377)
  1839  (JSmol)              -180.9     -257.4       26.1   49.7   Dicesium potassium hexacyano-iron(iii) (JIHPAR)
  1840  (JSmol)              -475.1     -685.9       32.9   30.9   Cesium phosphate (Cs3PO4) (ICSD 161678)
  1841  (JSmol)              -812.8    -1061.8       41.8   39.3   Cesium yttrium(iii) hexafluoride (Cs3YF6) (ICSD 19078)
  1842  (JSmol)              -485.6     -726.7       21.4   41.7   (18-Crown-6)-bis(perchlorato)-barium (MIFNUL)
  1843  (JSmol)              -481.5     -826.5       23.5   68.7   Ba(OH)2 3(H2O)
  1844  (JSmol)             -1010.1    -1230.0       32.5   51.6   BaCaAlF7
  1845  (JSmol)              -264.9     -464.0       23.5   57.4   BaFCl
  1846  (JSmol)              -614.6     -975.4       27.1   54.3   BaP2O6
  1847  (JSmol)  -352.1      -333.6     -390.3       15.1   24.4   Barite (BaSO4)
  1848  (JSmol)     0.0        77.9     -315.8       64.9   56.5   Barium (Ba) (ICSD 108091) bcc
  1849  (JSmol)              -277.8     -515.7       36.0   62.5   Barium chlorate (Ba(ClO3)2) (ICSD 40285)
  1850  (JSmol)  -349.0      -348.6     -672.5       32.8   75.5   Barium chloride dihydrate (BaCl2 2(H2O)) (ICSD 2254)
  1851  (JSmol)  -345.6      -374.6     -541.5       51.7   46.6   Barium chromate (BaCrO4) (ICSD 62560)
  1852  (JSmol)  -204.3      -201.5     -469.4       33.9   57.2   Barium dichloride (BaCl2) (ICSD 15705)
  1853  (JSmol)              -676.3     -850.7       20.7   28.5   Barium hexafluorosilicate (BaSiF6) (ICSD 201510)
  1854  (JSmol)  -225.8      -240.5     -514.3       21.3   66.3   Barium hydroxide (Ba(OH)2) (ICSD 56737)
  1855  (JSmol)  -225.8      -232.0     -520.0       13.2   74.0   Barium hydroxide (Ba(OH)2) (ICSD 92788)
  1856  (JSmol)              -846.3    -1120.4       29.9   65.2   Barium hydroxide octahydrate (BaO10H18)
  1857  (JSmol)  -236.1      -211.9     -404.4        1.4   36.6   Barium nitrate (Ba(NO3)2) (ICSD 35495)
  1858  (JSmol)  -183.6      -176.4     -430.4        9.7   55.2   Barium nitrite (Ba(NO2)2) (ICSD 29510)
  1859  (JSmol)              -651.3     -873.8       11.3   45.9   Barium oxalate oxalic acid dihydrate (BAHOXH11)
  1860  (JSmol)  -131.0      -125.8     -274.5        5.2   29.0   Barium oxide (BaO)
  1861  (JSmol)  -110.0      -129.8     -299.8       18.5   85.4   Barium sulfide (BaS) (ICSD 1210822)
  1862  (JSmol)  -396.7      -411.9     -631.9       10.6   55.5   Barium titanate (BaTiO3)
  1863  (JSmol)              -564.9     -744.9       26.6   53.8   Barytocalcite (CaCa(CO3)2)
  1864  (JSmol)             -1018.5    -1134.4       15.3   12.0   Benitoite ((BaO)(TiO2)(SiO2)3)
  1865  (JSmol)              -820.2    -1071.0       24.2   37.8   Chloro-(18-crown-6)-triaqua-barium chloride dihydrate (LIFFIQ)
  1866  (JSmol)              -481.5     -749.5        9.3   26.0   Di-isothiocyanato-nonaoxabicyclo heptacosane)-barium dichloromethane solvate (COCLIP)
  1867  (JSmol)              -845.0    -1121.4       12.1   22.4   Diaqua-(1,10-diaza-18-crown-6)-tetrafluorosuccinato-barium (MUJBEY)
  1868  (JSmol)  -288.9      -286.7     -306.9       25.6    1.2   Frankdicksonite (BaF2)
  1869  (JSmol)              -903.4     -986.8       31.8   39.9   Podlesnoite (BaCa2(CO3)2F2)
  1870  (JSmol)  -289.9      -252.2     -445.8        7.2   65.0   Witherite (BaCO3)
  1871  (JSmol)              -985.2    -1150.0       25.3   16.5   aqua-bis(hexafluoropentane-2,4-dione)-barium (KOWPOB)
  1872  (JSmol)              -701.8     -924.6       17.5   19.0   bis(15-Crown-5)-barium tetrachloro-copper (HEPWOO)
  1873  (JSmol)              -370.1     -651.8        8.1   17.3   bis(Tetrahydrofuran-O)-bis(bis(trimethylsilyl)amido)-barium (KILXOS)
  1874  (JSmol)              -125.3     -456.9       18.6   46.4   bis(mu-2-N,N',N',N''-Tetraisopropylguanidinato-N,N,N'',N'')-bis(h5-pentamethyl-cyclopentadienyl)-di-barium benzene solvate (YOBKEG)
  1875  (JSmol)              -368.7     -635.5       15.3   25.0   Barium cryptate(222) tetraselenide ethylenediamine solvate (BINDEH10)
  1876  (JSmol)              -252.3     -332.7       15.6    4.8   tetrakis(Ethylenediamine)-barium tetraselenide ethylenediamine solvate (BINDAD10)
  1877  (JSmol)              -249.4     -431.0       21.5   66.1   BaBrF
  1878  (JSmol)  -326.5      -329.4     -669.8       31.4   84.4   Barium bromide dihydrate (BaBr2 2(H2O)) (ICSD 33949)
  1879  (JSmol)  -181.0      -192.2     -394.8       22.4   93.1   Barium dibromide (BaBr2) (ICSD 15706)
  1880  (JSmol)              -655.6     -920.0       24.7   51.8   Bromo-(15-crown-5)-triaqua-barium bromide monohydrate (LIFDAG)
  1881  (JSmol)              -724.9    -1011.7       21.0   31.5   bis(1,4,7,10,13-Pentaoxacyclopentadecane)-barium bromide dihydrate (PXCDBA)
  1882  (JSmol)              -515.9     -911.9       14.4   65.4   BaSbF5
  1883  (JSmol)              -215.4     -442.2       19.8   48.7   BaFI
  1884  (JSmol)              -721.2     -993.8       18.2   29.4   Aqua-(7,16-bis(2-O-hydroxyethyl-2-oxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane)-barium(ii) di-iodide dihydrate (VEPMUY)
  1885  (JSmol)  -143.9      -132.7        -.-        8.3    -.-   Barium diiodide(BaI2) (ICSD 15707)
  1886  (JSmol)              -192.8     -589.5       24.4   59.2   Barium iodate (Ba(IO3)2) (ICSD 23276)
  1887  (JSmol)              -187.4     -405.4       21.9   27.5   catena-(tris(mu-2-4,4'-Bipyridine)-tetrakis(propan-1-ol)-tetra-iodo-di-barium(ii) bis(4,4'-bipyridine)) (TAQJIE)
  1888  (JSmol)              -941.6    -1570.1       31.8   68.0   Dibarium Magnesium Phosphate (Ba2MgP2O8)
  1889  (JSmol)             -1998.3    -2595.4       35.2   52.3   Usovite (Ba2CaMgAlF14)
  1890  (JSmol)              -780.4    -1500.8       27.4   52.8   catena-((mu-3-Methanol)-bis(mu-2-hydroxo)-methanol-barium methanol solvate) (GEMVOK)
  1891  (JSmol)             -1555.8    -2900.9       11.3   51.6   Barium ethylenediamine-tetra-acetate hydrate (BAEDTA)
  1892  (JSmol)             -1589.6    -2889.3        8.5   61.3   Alforsite (Ba5(PO4)3Cl)
  1893  (JSmol)              -432.9     -570.1       13.1   60.9   (15-Crown-5)-trichloro-lanthanum(iii) (YICCES)
  1894  (JSmol)             -1199.2     -486.6       21.8   25.2   Ammonium lanthanum sulfate (ICSD 20895)
  1895  (JSmol)             -1369.1    -1536.7       24.8   36.3   Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
  1896  (JSmol)              -561.9     -682.1       15.6   15.9   La Complex Sparkle (HETALA11)
  1897  (JSmol)               143.6      -92.7       12.3   12.2   La Complex Sparkle (HINKAQ)
  1898  (JSmol)               -44.7     -198.9       20.6   17.7   La Complex Sparkle (HUFQOO)
  1899  (JSmol)              -277.9     -424.3       17.9   13.4   La Complex Sparkle (SUZXIU)
  1900  (JSmol)              -133.6     -255.8       15.3   14.5   La Complex Sparkle (TEQBOG)
  1901  (JSmol)              -674.0     -730.9       28.9   17.9   La Complex Sparkle (YIVZIM)
  1902  (JSmol)     0.0        16.0    -1140.3       58.0   67.8   Lanthanum (La) (ICSD 641382) hcp
  1903  (JSmol)              -471.0    -1119.3       15.4   91.8   Lanthanum phosphate (LaPO4) (ICSD 79747)
  1904  (JSmol)              -257.6    -1088.0       43.7    -.-   Lanthanum(iii) hydroxide (La(OH)3) (ICSD 548159)
  1905  (JSmol)  -299.8      -302.5     -552.4       71.1   55.1   Lanthanum(iii) nitrate (La(NO2)3) (ICSD 281587)
  1906  (JSmol)  -256.3      -241.6     -681.3       17.5   60.3   Lanthanum(iii) trichloride (LaCl3)
  1907  (JSmol)              -362.5    -1171.9       16.2   68.8   Lanthanum(iii) trifluoride (LaF3)
  1908  (JSmol)             -1558.6    -1805.2       21.3   71.2   Nona-aqua-lanthanum tris(trifluoromethanesulfonate) (BUVVIX)
  1909  (JSmol)              -299.6      -35.1       25.7   21.3   cis-tetrakis(Triaza-tris(s-homobenzene)-N,N',N'')-lanthanum triperchlorate acetonitrile solvate (DEGDEY)
  1910  (JSmol)              -371.8     -368.0       29.9   24.3   tris(1-Ethyl-3-methylimidazolium) hexachlorolanthanate (UFAXAA)
  1911  (JSmol)              -182.4     -911.8       70.5   90.6   Lanthanum(iii) tribromide (LaBr3)
  1912  (JSmol)              -340.9     -157.0       24.4   34.3   Acetonitrile)-(tris((2-pyrazinyl)methyl)amine)-tri-iodo-lanthanum(iii) acetonitrile solvate (EFUBAI)
  1913  (JSmol)  -159.9      -175.8     -708.1       31.8   77.0   Lanthanum(iii) triiodide (LaI3)
  1914  (JSmol)              -762.7    -1618.3       14.7   62.5   Cesium potassium lanthanum hexafluoride (Cs2KLaF6)
  1915  (JSmol)  -428.7      -390.6    -2055.8       29.2   87.3   Lanthanum(iii) oxide (La2O3) (ICSD 56771)
  1916  (JSmol)             -1413.3    -1885.4       44.7   38.9   Lanthanum(iii) sulfate nonahydrate (La2(SO4)3 9(H2O)) (ICSD 1408775)
  1917  (JSmol)              -100.4     -474.4       12.0   11.5   Trilithium dilanthanum nitrate trihydrate (ICSD 39514)
  1918  (JSmol)              -759.3     -789.2       27.9   22.1   Dibromo-bis(diglyme-O,O',O'')-lanthanum(iii) tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) (RIGYUB)
  1919  (JSmol)              -595.4     -834.1       13.4   18.2   Ce Complex Sparkle (GINNUM)
  1920  (JSmol)              -164.0     -385.4       15.6   18.6   Ce Complex Sparkle (PEKWEH)
  1921  (JSmol)              -214.3     -150.0       25.3   21.5   Ce Complex Sparkle (SOZLUO)
  1922  (JSmol)                88.5     -318.6       16.8   18.0   Ce Complex Sparkle (TIJCIY)
  1923  (JSmol)               396.0       38.9       15.1   18.3   Ce Complex Sparkle (XONYAA)
  1924  (JSmol)              -180.9     -567.9       23.9   18.9   Pr Complex Sparkle (ICSD 240384)
  1925  (JSmol)              -137.1     -617.1       19.9   16.1   Pr Complex Sparkle (ICSD 411291)
  1926  (JSmol)             -1436.1    -1566.2       21.6   22.3   Pr Complex Sparkles (BUVWIY01)
  1927  (JSmol)                82.8     -730.9       26.0   21.2   Pr Complex Sparkles (GIWWEO)
  1928  (JSmol)               143.0     -262.1       18.7   19.2   Pr Complex Sparkles (KAWBIT)
  1929  (JSmol)              -169.3     -383.2       12.7   12.1   Pr Complex Sparkles (PELGOC)
  1930  (JSmol)             -1219.5    -1492.8       17.8   15.2   Pr Complex Sparkles (VELRUZ)
  1931  (JSmol)                37.8     -306.6       33.8   35.4   Nd Complex Sparkle (BILSIY)
  1932  (JSmol)             -1366.4    -1533.8       13.8   16.9   Nd Complex Sparkle (BUVWOE01)
  1933  (JSmol)              -256.2     -617.9       29.2   39.8   Nd Complex Sparkle (ICSD 37181)
  1934  (JSmol)                 9.3     -517.9       21.3   17.6   Nd Complex Sparkle (ICSD 411290)
  1935  (JSmol)              -317.7     -655.0       18.8   22.0   Nd Complex Sparkle (NATPAZ01)
  1936  (JSmol)              -203.5     -228.5       26.1   19.9   Nd Complex Sparkle (QAYWOC)
  1937  (JSmol)               514.4        3.8       24.2   27.9   Nd Complex Sparkle (QEBJIQ)
  1938  (JSmol)               479.7       56.9       15.6   19.3   Nd Complex Sparkle (XONYII)
  1939  (JSmol)             -1379.9    -1547.5       23.6   22.0   Sm Complex Sparkle (BUVWUK01)
  1940  (JSmol)              -681.7     -970.7       12.1   12.4   Sm Complex Sparkle (CORKEZ)
  1941  (JSmol)               -36.6     -475.2       17.3   22.0   Sm Complex Sparkle (ICSD 409528)
  1942  (JSmol)              -443.6     -720.0       17.4   25.1   Sm Complex Sparkle (KUYBAH)
  1943  (JSmol)              -186.2     -576.9       12.5   14.8   Sm Complex Sparkle (QIPQOV)
  1944  (JSmol)               -60.0     -387.7       23.3   22.7   Sm Complex Sparkle (XAGVOQ)
  1945  (JSmol)              -300.6     -418.2       21.5   18.1   Sm Complex Sparkle (XAXYAW)
  1946  (JSmol)              -361.5     -513.2       26.0   21.7   Sm Complex Sparkle (YEYLAP)
  1947  (JSmol)             -1363.4    -1374.8       23.5   25.0   Eu Complex Sparkle (BUVXAR11)
  1948  (JSmol)               459.1      149.5       14.9   12.5   Eu Complex Sparkle (EGOBEH)
  1949  (JSmol)              -424.9     -559.8       15.1   23.2   Eu Complex Sparkle (FUXPOD)
  1950  (JSmol)              -284.6     -421.6       17.7   37.3   Eu Complex Sparkle (ICSD 280528)
  1951  (JSmol)                13.7     -120.7       28.3   22.1   Eu Complex Sparkle (PIEUAC01)
  1952  (JSmol)              -530.3     -561.8       18.5   16.6   Eu Complex Sparkle (QAKWUU)
  1953  (JSmol)             -1317.7    -1514.3       22.7   22.6   Gd Complex Sparkle (BUVVOD01)
  1954  (JSmol)              -854.7    -1077.6       13.3   46.5   Gd Complex Sparkle (CULNIG10)
  1955  (JSmol)              -221.6     -575.5       13.7   21.5   Gd Complex Sparkle (ICSD 109886)
  1956  (JSmol)              -491.8     -875.3       20.0   24.6   Gd Complex Sparkle (JOPJIH01)
  1957  (JSmol)               992.2      582.2       23.5   18.8   Gd Complex Sparkle (OBUJIE)
  1958  (JSmol)               369.3     -139.8       17.5   18.0   Gd Complex Sparkle (PADEGA10)
  1959  (JSmol)               -70.6     -500.9       15.1   13.2   Gd Complex Sparkle (VEDSEC)
  1960  (JSmol)               383.1       44.8       13.8   13.7   Gd Complex Sparkle (YUWZOF)
  1961  (JSmol)             -1333.0    -1380.4       21.6   24.6   Tb Complex Sparkle (BUVXEV01)
  1962  (JSmol)              -505.8     -656.1       14.5   17.9   Tb Complex Sparkle (FOPPUV)
  1963  (JSmol)              -506.9     -647.0       23.2   29.1   Tb Complex Sparkle (ICSD 1408781)
  1964  (JSmol)               206.0      -16.5       10.0   25.5   Tb Complex Sparkle (ICSD 1522521)
  1965  (JSmol)              -354.9     -534.4       27.8   28.8   Tb Complex Sparkle (KITGAV)
  1966  (JSmol)              -395.3     -557.4       16.1   22.4   Tb Complex Sparkle (KUYBEL)
  1967  (JSmol)               145.6      -40.5       21.0   17.9   Tb Complex Sparkle (XEXJIT)
  1968  (JSmol)             -1061.3    -1085.7       24.4   23.3   Tb Complex Sparkle (ZZZARD01)
  1969  (JSmol)                50.1      -47.1       16.1   16.4   Tb Complex Sparkle (VAPTEL01)
  1970  (JSmol)             -1283.2    -1406.7       25.7   28.4   Dy Complex Sparkle (BUVXIZ01)
  1971  (JSmol)              -154.3     -408.7       28.0   33.4   Dy Complex Sparkle (CECLIF10)
  1972  (JSmol)             -1000.9    -1120.4       16.3   22.8   Dy Complex Sparkle (FOPNAZ)
  1973  (JSmol)              -345.6     -600.1       16.7   25.3   Dy Complex Sparkle (FUXRAR)
  1974  (JSmol)                62.9     -291.8       20.2   11.5   Dy Complex Sparkle (ICSD 200095)
  1975  (JSmol)              -261.3     -540.5       23.1   24.2   Dy Complex Sparkle (QQQEMM01)
  1976  (JSmol)              -787.7    -1148.0       16.5   22.7   Dy Complex Sparkle (ICSD 1904895)
  1977  (JSmol)               203.8     -189.6       17.7   14.5   Ho Complex Sparkle (BAGBAN)
  1978  (JSmol)              -498.4     -712.8       32.1   32.2   Ho Complex Sparkle (BEYSAZ)
  1979  (JSmol)             -1334.7    -1505.5       18.5   16.6   Ho Complex Sparkle (BUVXOF01)
  1980  (JSmol)               210.8     -192.0       11.7   14.0   Ho Complex Sparkle (CAQFUV)
  1981  (JSmol)              -783.4    -1128.9       12.2   15.4   Ho Complex Sparkle (ECOJEL)
  1982  (JSmol)             -1060.3    -1209.7       36.7   36.8   Ho Complex Sparkle (HOESUL02)
  1983  (JSmol)                 8.6     -397.2       27.6   29.8   Ho Complex Sparkle (ICSD 200096)
  1984  (JSmol)              -258.6     -529.5       41.6   33.5   Ho Complex Sparkle (XEWVIE)
  1985  (JSmol)              -837.1    -1271.4       20.7   26.1   Ho Complex Sparkle (ICSD 1421578)
  1986  (JSmol)               560.0      119.9       12.1    7.5   Er Complex Sparkle (BOWXOA)
  1987  (JSmol)              -803.1     -921.5       13.2   11.4   Er Complex Sparkle (DIYNII)
  1988  (JSmol)               -30.2     -345.6       12.4   11.2   Er Complex Sparkle (HAGSAJ)
  1989  (JSmol)               128.2     -299.3       19.2   25.8   Er Complex Sparkle (ICSD 200097)
  1990  (JSmol)                17.7     -279.3       37.4   18.1   Er Complex Sparkle (ICSD 34473)
  1991  (JSmol)              -570.0     -957.3       37.9   27.3   Er Complex Sparkle (ICSD 413883)
  1992  (JSmol)              -212.1     -520.4       24.7   24.6   Er Complex Sparkle (LEYJII)
  1993  (JSmol)               625.2      118.9       27.2   26.6   Er Complex Sparkle (XOXXAJ)
  1994  (JSmol)              -111.8     -346.2       13.7   17.2   Tm Complex Sparkle (COZHII)
  1995  (JSmol)              -210.8     -432.3       10.5   16.5   Tm Complex Sparkle (ICSD 39918)
  1996  (JSmol)                27.7     -337.8        5.3   19.8   Tm Complex Sparkle (ICSD 69336)
  1997  (JSmol)              -297.1     -559.3       28.9   31.8   Tm Complex Sparkle (KITHAW)
  1998  (JSmol)               -47.1     -314.3       21.6   18.8   Tm Complex Sparkle (TUPYUY)
  1999  (JSmol)             -1003.9    -1107.9       28.4   36.1   Tm Complex Sparkle (ZZZARJ01)
  2000  (JSmol)               363.1       12.8       23.9   29.0   Tm Complex Sparkle (TUTXOV)
  2001  (JSmol)              -369.8    -1016.7       22.2   23.6   Tm Complex Sparkle (NIHZUZ)
  2002  (JSmol)             -1226.1    -1444.3       29.1   26.4   Yb Complex Sparkle (BUVYEW01)
  2003  (JSmol)               236.4     -103.8       21.9   18.2   Yb Complex Sparkle (MIPTUA)
  2004  (JSmol)               376.0      -65.5       16.6   13.9   Yb Complex Sparkle (QAXYAP)
  2005  (JSmol)               222.6     -148.6       21.9   19.0   Yb Complex Sparkle (RENXIR)
  2006  (JSmol)               349.1       76.8       20.9   25.7   Yb Complex Sparkle (YIZHUK)
  2007  (JSmol)               349.5       76.8       20.9   25.7   Yb ComplexSparkle (YIZHUK)
  2008  (JSmol)             -1724.0    -2153.6       21.0   23.5   Yb Complex Sparkle (QAKXIJ)
  2009  (JSmol)              -345.1     -453.5       20.4   21.5   (2,2'-(1,3-dithiapropane-1,3-diyl)bis(6-t-butyl-4-methylphenolato))-bis(tetrahydrofuran)-((trimethylsilyl)methyl)-lutetium tetrahydrofuran solvate (JOJQAB)
  2010  (JSmol)             -1047.3    -1300.2       25.6   35.0   (mu-2-1,4,7,10-Tetra-azacyclododecane-1,4,7-triacetato-10-methyl hydrogen phosphonato)-triaqua-lithium-lutetium(iii) dihydrate (LARLAS)
  2011  (JSmol)              -988.8     -943.9       23.3   16.4   15-Crown-5 octa-aqua-lutetium trichloride (FILVUR)
  2012  (JSmol)               -83.1     -130.1       17.3   11.3   Chloro-bis(cyclopentadienyl)-(tetrahydrofuran)-lutetium (FATGIQ10)
  2013  (JSmol)              -224.2     -192.9       27.2   16.7   Dibromo-(tetrahydrofuran)-(2,6-bis((3-mesityl-1,3-dihydroimidazol-2-ylidene)methyl)phenyl)-lutetium tetrahydrofuran solvate (TOJMEL)
  2014  (JSmol)             -1265.8    -1472.5       25.0   25.8   Lu Complex Sparkle (BUVVUJ)
  2015  (JSmol)               150.7       49.7       24.7   24.2   Lu Complex Sparkle (FAZDIT)
  2016  (JSmol)               106.1     -558.2       35.7   38.9   Lu Complex Sparkle (ICSD 110102)
  2017  (JSmol)              -222.8     -464.2       21.8   38.5   Lu Complex Sparkle (ICSD 410763)
  2018  (JSmol)               734.9      100.8       25.6   15.6   Lu Complex Sparkle (LAWREG)
  2019  (JSmol)               415.5     -137.9       16.8    9.9   Lu Complex Sparkle (TABCOO)
  2020  (JSmol)              -959.1    -1287.7       13.0   16.3   Lu Complex Sparkle (UFIROQ)
  2021  (JSmol)               -74.0     -426.5       24.2   29.1   Lu Complex Sparkle (XECQUR)
  2022  (JSmol)     0.0       -53.4        -.-       54.1    -.-   Lutetium (Lu) (ICSD 642414)
  2023  (JSmol)              -448.6        -.-       45.0    -.-   Lutetium phosphate (LuPO4) (ICSD 79761)
  2024  (JSmol)              -562.2     -478.1       39.4   34.9   Lutetium(iii) perchlorate trihydrate (Lu[ClO4]3[H2O]3)
  2025  (JSmol)              -255.5     -188.3       43.3   13.3   Lutetium(iii) tribromide (LuBr3)
  2026  (JSmol)              -179.6     -248.3       18.5   19.4   Lutetium(iii) trichloride (LuCl3)
  2027  (JSmol)              -139.8     -625.2       68.2   65.1   Lutetium(iii) trifluoride (LuF3)
  2028  (JSmol)             -1367.3    -1316.0       32.7   31.2   Nona-aqua-lutetium tris(ethyl sulfate) (ZZZARM01)
  2029  (JSmol)             -1648.2    -1607.9       23.2   14.3   Nona-aqua-lutetium tris(trifluoromethanesulfonate) (BUVVUJ)
  2030  (JSmol)              -430.5     -451.1       20.9   23.2   Trichloro-(triethylene glycol)-lutetium (FUXSEW)
  2031  (JSmol)              -384.1     -395.5       20.5   14.7   Trichloro-tris(tetrahydrofuran)-lutetium (HAFWAM)
  2032  (JSmol)             -1023.5    -1055.2       16.2   23.5   bis(Hexaaqua-(benzene-1,2-disulfonato)-lutetium(iii)) benzene-1,2-disulfonate tetrahydrate (GIFBUT)
  2033  (JSmol)               381.9      378.7       21.4   10.9   bis(Phthalocyaninato)-lutetium(iii) dichloromethane solvate (DICBUM)
  2034  (JSmol)               -51.4     -365.9       30.3   41.3   bis(h5-Pentamethyl-cyclopentadienyl)-lutetium-dimethylphosphonio-bis(methanide) (CIXTUY)
  2035  (JSmol)              -449.6     -515.2       36.4   37.9   tetrakis(Methylammonium) hexachloro-lutetium(iii) chloride (VESYAU)
  2036  (JSmol)                99.0       67.6       25.0   12.1   tris(o-((Dimethylamino)methyl)phenyl)-lutetium (CILCUV)
  2037  (JSmol)  -131.0      -116.2     -119.8       30.9   13.6   Lutetium(iii) triiodide (LuI3)
  2038  (JSmol)              -463.9     -405.7       28.0   32.1   cis-Diiodo-tetrakis(isopropanol)-lutetium(iii) iodide (ESECEK)
  2039  (JSmol)  -448.9      -446.3     -516.0       30.3   22.1   Lutetium(iii) oxide (Lu2O3) (ICSD 151762)
  2040  (JSmol)               -30.7      -11.5       17.9   14.5   Dimethylhafnocene (DMCPHF)
  2041  (JSmol)     0.0       -74.0     -116.4       11.1   90.9   Hafnium (Hf) (ICSD 53022) hcp
  2042  (JSmol)  -273.6      -276.3     -246.5       24.5   82.9   Hafnium(iv) dioxide (HfO2) (ICSD 27313)
  2043  (JSmol)              -174.0     -344.8       17.0   67.8   Hafnium(iv) tetrabromide (HfBr4)
  2044  (JSmol)  -236.7      -234.2     -343.6       37.4   67.2   Hafnium(iv) tetrachloride (HfCl4)
  2045  (JSmol)  -461.4      -457.1     -502.2       33.7   48.0   Hafnium(iv) tetrafluoride (HfF4)
  2046  (JSmol)              -655.5     -675.7       22.7   31.6   Hexamethylenediammonium hexafluoro-hafnium (RENPAB)
  2047  (JSmol)             -2148.0    -2099.6       17.9   53.7   Sodium tetrakis(catecholato)-hafnium(iv) hydrate (HFCATH)
  2048  (JSmol)              -759.7     -761.6       14.4   26.0   Tetramethylene-1,4-diammonium bis(mu-2-fluoro)-octafluoro-diaqua-di-hafnium(iv) tetrahydrate (ROLPEN)
  2049  (JSmol)              -833.7     -770.1       18.4   23.3   bis(Guanidinium) difluoro-(ethylenediaminotetra-acetato)-hafnium(iv) monohydrate (ZULSEE)
  2050  (JSmol)               -60.8        2.3       18.4   18.0   bis(N,N-(Dipyrrolyl-2-methyl)-N-methylamido)-hafnium(iv) dichloromethane solvate (LULCEA)
  2051  (JSmol)              -769.7     -995.1       22.4   79.6   catena-(Di-rubidium(i) bis(mu-2-fluoro)-(mu-2-oxalato)-bis(aqua-trifluro-hafnium(iv)) dihydrate) (YEWJAL)
  2052  (JSmol)              -518.9     -596.3       28.6    -.-   tetrakis(Tetrahydroborato)-hafnium (FUZVOL)
  2053  (JSmol)              -314.4     -370.9       24.9   37.6   Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
  2054  (JSmol)              -101.0     -343.0       18.0   95.0   Hafnium(iii) triiodide (HfI3)
  2055  (JSmol)               -98.9     -296.8       24.4   49.7   Hafnium(iv) tetraiodide (HfI4)
  2056  (JSmol)               -89.1      -38.9       25.1   32.2   (cryptand)-sodium tris(1,2,3-h-cycloocta-1,3,5-trienyl)-tantalum (OGISAY)
  2057  (JSmol)              -511.2     -513.7       31.2   22.7   1-Ethyl-3-methylimidazolium hexafluorotantalate (MESBOC)
  2058  (JSmol)              -194.4     -216.9       10.2   10.8   15-Crown-5-sodium hexakis(phenylthiolato-S)-tantalum (KIGGEM)
  2059  (JSmol)              -617.1     -555.5       13.5   15.9   18-Crown-6 oxonium hexachloro-tantalum(v) (TEDYUW)
  2060  (JSmol)              -848.3     -856.2       34.5   27.0   Betainium hexafluoro-tantalum(iv) dihydrate (CEYCEO)
  2061  (JSmol)              -481.9     -483.9       29.2   33.1   Difluoropermethyltantalocene tetrafluoroborate (BAZNIZ)
  2062  (JSmol)              -844.4     -843.3       24.8   27.7   Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
  2063  (JSmol)     0.0       -72.7     -201.1       71.3   64.1   Tantalum (Ta) (ICSD 652900) bcc
  2064  (JSmol)  -455.0      -454.4     -609.1       70.0   68.3   Tantalum(V) pentafluoride (TaF5) (ICSD 171155)
  2065  (JSmol)              -329.0        -.-        8.6    -.-   Tantalum(iii) trifluoride (TaF3) (ICSD 542010)
  2066  (JSmol)              -180.1        -.-       66.6    -.-   Tantalum(iv) tetrachloride (TaCl4) (ICSD 402406)
  2067  (JSmol)  -143.0      -170.7     -170.9       41.1   28.7   Tantalum(v) pentabromide (TaBr5) (ICSD 109324)
  2068  (JSmol)              -163.1        -.-       20.4    -.-   Tantalum(v) pentabromide (TaBr5) (ICSD 1301641)
  2069  (JSmol)  -205.3      -200.9     -180.4       62.4   46.8   Tantalum(v) pentachloride (TaCl5) (ICSD 409433)
  2070  (JSmol)              -941.5    -1284.5       35.5   63.8   Trisodium octafluorotantalate (Na3TaF8) (ICSD 26611)
  2071  (JSmol)             -1486.8    -1474.9        8.6   30.3   Trityl hexakis(pentafluorophenoxy)-tantalum (QINKON)
  2072  (JSmol)              -458.1     -376.1       23.3   23.0   tetrakis(2,2,6,6-Tetramethylheptane-3,5-dionato)-tantalum(v) hexachlorotantalate (QAQPAA)
  2073  (JSmol)              -154.7      -78.7       16.6   15.1   tetrakis(hexahydro-pyrimido[1,2-a]pyrimidyl)-tantalum hexachloro-tantalum (EMUDAR)
  2074  (JSmol)              -681.3     -695.1       26.8   28.8   tris(2-Ammonioethyl)amine heptafluoro-tantalum fluoride (QAJJIV)
  2075  (JSmol)              -138.3      -83.3       29.4   29.7   tris(Diethyl ether)-lithium hexamethyl-tantalum(v) (POZHUH)
  2076  (JSmol)              -534.7     -534.9       27.6   31.5   tris(Guanidinium) hexafluoro-tantalum (YAVZEB01)
  2077  (JSmol)              -338.9     -248.5       22.1   25.9   tris(Guanidinium) tetrakis(peroxo)tantalum(v) (ABUNOB)
  2078  (JSmol)  -489.0      -478.4     -749.0       64.0   43.0   Tantalum(v) pentoxide (Ta2O5) (ICSD 95462)
  2079  (JSmol)              -473.5     -290.7       59.4   15.8   Tantalum bromide (Ta6Br14) (ICSD 402031)
  2080  (JSmol)              -256.3     -367.3       78.3   16.9   Tantalum iodide (Ta6I14) (ICSD 300282)
  2081  (JSmol)              -241.4      -60.9       18.3   28.1   (Diethyl ether)-lithium heptamethyl-tungsten (RETNEJ)
  2082  (JSmol)              -572.1     -559.9       24.7   22.8   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrabromo-tungsten (NANQEY)
  2083  (JSmol)  -264.1      -268.7     -174.0       25.2   66.0   Copper(ii) tungstate (CuWO4) (ICSD 84558)
  2084  (JSmol)              -617.7     -608.4       13.7   22.9   Dichloro-oxo-(N,N',N''-trimethyl-1,4,7-triazacyclononane-N,N',N'')-tungsten(v) hexafluorophosphate (DIBVEP)
  2085  (JSmol)              -406.3     -438.7       54.8   49.6   Dipotassium tungstate (K2WO4)
  2086  (JSmol)  -369.2      -343.5     -389.0       27.9   37.4   Disodium tungstate (Na2WO4)
  2087  (JSmol)  -276.1      -282.8     -398.3       14.1   23.3   Ferberite (FeWO4)
  2088  (JSmol)  -362.3      -346.2     -265.1       18.8   36.4   Magnesium tungstate (MgWO4)
  2089  (JSmol)  -269.7      -261.6     -183.9       15.0   59.3   Nickel(ii) tungstate (NiWO4) (ICSD 15852)
  2090  (JSmol)              -400.1     -358.1       27.2   67.1   Scheelite (CaWO4)
  2091  (JSmol)              -389.0     -431.9       24.1   70.7   Strontium tungstate (SrWO4) (ICSD 155425)
  2092  (JSmol)              -219.9     -217.0       13.3   19.4   Tetramethylammonium chloro-pentacarbonyl-tungsten (CPECOW)
  2093  (JSmol)     0.0       -19.4        -.-       51.5    -.-   Tungsten (W) (ICSD 43667) bcc
  2094  (JSmol)  -186.5      -183.2     -197.0       23.4   23.2   Tungsten chloride oxide (WO2Cl2) (ICSD 28510)
  2095  (JSmol)   -61.5      -140.3        -.-       51.0    -.-   Tungsten dichloride (WCl2) (ICSD 542032)
  2096  (JSmol)  -140.9      -186.6     -217.1       34.7   19.6   Tungsten dioxide (WO2) (ICSD 80829)
  2097  (JSmol)  -160.4      -177.4     -167.7       43.1   56.4   Tungsten oxide tetrachloride (WOCl4) (ICSD 25519)
  2098  (JSmol)  -336.3      -326.5     -338.1       71.0   31.1   Tungsten oxide tetrafluoride (WOF4) (ICSD 10393)
  2099  (JSmol)              -103.0        -.-       39.2    -.-   Tungsten(iii) tribromide (WBr3)
  2100  (JSmol)   -83.3      -106.2      -74.7       16.0    7.6   Tungsten(vi) hexabromide (WBr6) (ICSD 62048)
  2101  (JSmol)  -144.0      -119.5     -129.3       30.5   63.5   Tungsten(vi) hexachloride (WCl6) (ICSD 2365)
  2102  (JSmol)              -378.5     -402.4       73.4   24.9   Tungsten(vi) hexafluoride (WF6) (ICSD 4027)
  2103  (JSmol)              -293.3     -265.7       22.7   41.4   Tungsten(vi) oxide hydrate (H2WO4) (ICSD 201806)
  2104  (JSmol)  -201.4      -196.9     -190.6       17.8   26.7   Tungsten(vi) trioxide (WO3)
  2105  (JSmol)              -290.0     -266.0       22.4   40.2   Tungstic acid (tungstite) (H2WO4) (ICSD 2110209)
  2106  (JSmol)              -289.7     -240.2       12.0   23.9   Zinc tungstate (ZnWO4)
  2107  (JSmol)              -125.8     -155.5        8.5   19.0   trans Ammonium tetrabromo-bis(4-methylpyridyl)-tungsten(iii) 4-methylpyridine ammonia solvate (JEPCUC)
  2108  (JSmol)              -137.9        -.-       76.3    -.-   Silver tungstate (Ag2WO4) (ICSD 1802521)
  2109  (JSmol)              -134.9     -138.6       11.3   16.1   Tricarbonyl-(h5-(2-(trimethylammonio)ethyl)cyclopentadienyl)-iodo-tungsten(ii) iodide (LIMZIR)
  2110  (JSmol)              -713.3     -762.4       37.7   50.0   Cesium hexafluoro-2,2,2-trifluoroethoxy-tungsten(vi) acetonitrile solvate (JONCAQ)
  2111  (JSmol)              -379.0     -578.8        8.4   71.8   Barium tungstate (BaWO4) (ICSD 23702)
  2112  (JSmol)              -885.2     -986.2       31.7   23.2   (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
  2113  (JSmol)              -713.0     -646.5        5.0   17.2   ZrW2O8
  2114  (JSmol)              -566.5     -438.9       19.5   24.9   bis(Acetonitrile)-fluoro-tetramethyl-tungsten hexafluoro-tungsten (RETNAF)
  2115  (JSmol)              -692.8     -788.4       31.1   24.9   bis(Dichloro-tungstocenium) hexakis(mu-2-fluoro)-dodecakisfluoro-tetra-tungsten (JUTPET)
  2116  (JSmol)             -1481.5    -1154.4       19.6   46.4   Dodecahydroxo-dodecatungstate henicosahydrate (W4O21H18)
  2117  (JSmol)             -3315.6    -2634.3        5.2   24.7   Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
  2118  (JSmol)               -30.0      -50.5       13.9   22.8   Dimethylammonium hexabromo-rhenium (COJYAB)
  2119  (JSmol)               -65.9       11.6       38.6   23.5   Pyridinium pentachloro-(pyridine)-rhenium(iv) (AKINUD)
  2120  (JSmol)     0.0       -26.3        -.-       15.2    -.-   Rhenium (Re) (ICSD 40355) hcp
  2121  (JSmol)   -39.9       -14.8       79.8       14.5   48.4   Rhenium(iii) tribromide (ReBr3) (ICSD 1707233)
  2122  (JSmol)   -63.1       -32.4       60.4       24.2   48.2   Rhenium(iii) trichloride (ReCl3) (ICSD 62222)
  2123  (JSmol)               -32.5       21.1       26.7   73.3   Rhenium(iv) tetrachloride (ReCl4) (ICSD 1301314)
  2124  (JSmol)              -314.5     -288.2       39.3   59.0   Rhenium(vi) hexafluoride (ReF6) (ICSD 1211852)
  2125  (JSmol)              -392.9     -367.6       44.1   23.8   Rhenium(vii) heptafluoride (ReF7) (ICSD 78311)
  2126  (JSmol)               -88.2      -46.6       15.9    9.4   bis(Pyridinium) hexachloro-rhenium(iv) (GUVVIC01)
  2127  (JSmol)              -421.0     -364.7       20.3   28.9   bis(a,a'-Dithio-bis(formamidinium)) dichloride hexachloro-rhenium(iv) trihydrate (DEBJOJ)
  2128  (JSmol)               -19.0     -124.1       16.9   21.8   tetrakis(Terpyridinium) bis(aqua-tetrabromo-oxo-rhenate(v)) hexabromo-rhenate(iv) tetrabromide dihydrate (MIGDUC)
  2129  (JSmol)             -1326.9    -1327.2       15.2   24.4   tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
  2130  (JSmol)              -262.0     -201.1       22.3   24.9   tris(Tetrachlorocatecholato-O,O')-rhenium(vi) anisole solvate (FEGFUS)
  2131  (JSmol)              -115.5      -35.8       19.8   21.4   trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2132  (JSmol)               -51.4       63.5       11.0   62.4   Rhenium(iii) triiodide (ReI3) (ICSD 1250140)
  2133  (JSmol)  -296.4      -354.4     -204.5       46.4   30.8   Rhenium(vii) oxide (Re2O7) (ICSD 15217)
  2134  (JSmol)              -746.4     -654.2       26.3   33.3   Hexacarbonyl-rhenium(i) (mu-2-fluoro)-bis(pentafluoro-rhenium(v)) (FUZJOZ)
  2135  (JSmol)             76481.0     -160.2       99.0   60.1   Catena-di-mu-chloro-dichloroosmium(IV) (OsCl4)
  2136  (JSmol)              -375.0     -416.5       16.8   16.5   Chloro-osmocenium hexafluorophosphate (WEHLEA)
  2137  (JSmol)              -705.6     -711.1       13.9   49.1   Di-potassium dioxo-bis(oxalato-O,O')-osmium(vi) dihydrate (BOGPOD)
  2138  (JSmol)              -312.5     -341.9       21.7   45.7   Dibromo-tetrakis(dimethyl sulfoxide-S)-osmium(ii) (SAWZAR)
  2139  (JSmol)               -15.1     -217.5       20.1   26.9   Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
  2140  (JSmol)     0.0         8.1     -447.6       50.6   32.4   Osmium (Os) (ICSD 747701) hcp
  2141  (JSmol)                34.7     -228.0       20.2   46.8   Osmium(iv) tetrabromide (OsBr4)
  2142  (JSmol)               -38.1     -316.7       53.6   69.2   Osmium(v) pentafluoride (OsF5) (ICSD 14117)
  2143  (JSmol)               -12.5     2999.8       27.0    -.-   Osmium(vi) hexafluoride (OsF6)
  2144  (JSmol)   -94.2       -76.0     -152.6       20.1   39.2   Osmium(viii) tetroxide (OsO4)
  2145  (JSmol)    67.8        73.2        2.7        3.5   40.9   Osmocene (Os(Cp)2) (SINWER)
  2146  (JSmol)               -91.7     -197.8       43.5   31.7   Tetraethylammonium cis-tetrachlorodifluoroosmate(v) (CAXSAV)
  2147  (JSmol)              -162.3     -261.7       26.1   26.3   Tetramethylammonium fluorotetraoxoosmate (XAKBUG)
  2148  (JSmol)              -206.2     -130.4        9.5   16.8   Tribromo-nitrosyl-diethylsulfido-(diethylsulfoxide-O)-osmium(ii) (SOGYAO)
  2149  (JSmol)               -80.3     -183.3       10.4   15.5   bis(Tetra-n-butyl-ammonium) bis(mu-2-bromo)-octabromo-di-osmium (COZZIA)
  2150  (JSmol)              -109.8     -168.7       11.5   20.5   bis(Tetra-n-butylammonium) bis(tetrabromo-osmium(iii)) (DUGLIA)
  2151  (JSmol)              -129.4     -207.2       25.0   29.3   bis(Tetra-n-butylammonium) decachloro-di-osmium(iv) (CIPTEA)
  2152  (JSmol)              -172.3     -337.0       29.5   21.7   bis(Tetramethylammonium) hexafluoro-osmium(iv) (UFEPEA)
  2153  (JSmol)                50.7      -53.2       22.5   15.2   bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
  2154  (JSmol)              -142.7     -137.5       25.8   35.6   cis-1,2-Ethylenediamine-bis(1,2-ethylenediaminato)-osmium(iv) dibromide (BOSRUW)
  2155  (JSmol)                37.6       -7.9       16.2   11.5   mer-Tribromo-tris(pyridine)-osmium(iii) (GOBBUU)
  2156  (JSmol)              -365.9     -228.3       28.3   18.1   mu-2-Pyrazine-N,N')-decakis(ammine)-di-osmium(iii) hexachloride dihydrate (DOBGEG)
  2157  (JSmol)              -262.4     -252.1       23.8   23.3   tetrakis(mu-2-Acetato)-dichloro-di-osmium (COHNUI)
  2158  (JSmol)               -86.2     -102.1       14.4   25.3   trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
  2159  (JSmol)              -109.8      -77.8       23.2   19.9   trans-Tetrabromo-bis(tetrahydrothiophene)-osmium (GOMXEL)
  2160  (JSmol)              -213.0     -214.4       29.2   36.6   trans-bis(Acetylacetonato)-dibromo-osmium (RILRUZ)
  2161  (JSmol)              -322.0     -321.5       14.0   14.4   Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
  2162  (JSmol)                67.0       75.3       14.1   10.2   trans-Di-iodo-tetrakis(pyridine)-osmium(ii) (TULHUD)
  2163  (JSmol)               -67.8      -53.9       16.1   15.0   trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
  2164  (JSmol)                32.7     -388.3       78.3   63.6   Osmium(iii) triiodide (OsI3)
  2165  (JSmol)                68.0       60.0       21.0   10.7   mer-Tri-iodo-tris(pyridine)-osmium(iii) (GOBCAB)
  2166  (JSmol)                65.1      -17.9       21.4   26.4   Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
  2167  (JSmol)              -131.2     -110.4        8.2   14.5   bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
  2168  (JSmol)              -305.8     -321.4       22.4   19.7   fac-Cesium trichloro-tricarbonyl-osmium(ii) (PENJOO)
  2169  (JSmol)                43.2     -154.0       21.9   22.9   bromo-bis(tetramethylcyclopentadienyl)-osmium(iv) bis(mu-2-bromo)-dibromo-bis(cyclo-1,5-octadiene)-di-osmium(iii) (KEMPOI)
  2170  (JSmol)              -120.2      -11.0       20.4   72.3   (Ethylenediamine)-pyridine-trichloro-iridium(iii) (IBEFUR01)
  2171  (JSmol)              -104.9      -42.8       24.0   88.7   Dicarbonyl-(acetylacetonato-O,O')-iridium(i) (ACRHCO02)
  2172  (JSmol)              -166.6      -43.6       11.5   56.5   Ethylene-1,2-diammonium hexachloro-iridate(iv) (NAYQOU)
  2173  (JSmol)     0.0        26.0        -.-       34.0    -.-   Iridium (Ir) (ICSD 640730) fcc
  2174  (JSmol)                45.2     -170.2       23.3    -.-   Iridium(iii) tribromide (IrBr3) (ICSD 14212)
  2175  (JSmol)   -58.7       -45.6     -149.8        6.1   93.0   Iridium(iii) trichloride (IrCl3) (ICSD 23171)
  2176  (JSmol)   -58.7       -45.5     -235.2        4.7   91.6   Iridium(iii) trichloride (IrCl3) (ICSD 25716)
  2177  (JSmol)                10.9        -.-       21.2    -.-   Iridium(iii) trifluoride (IrF3) (ICSD 16676)
  2178  (JSmol)   -65.5       -69.7    -6752.0       16.2    -.-   Iridium(iv) dioxide (IrO2) (ICSD 81028)
  2179  (JSmol)   -33.0       -22.8        -.-        8.6    -.-   Iridium(iv) disulfide (IrS2) (ICSD 640950)
  2180  (JSmol)  -138.6      -142.8        -.-       31.4    -.-   Iridium(vi) hexafluoride (IrF6) (ICSD 171654)
  2181  (JSmol)              -402.9        -.-       26.8    -.-   Potassium hexafluoroiridate(iv) (K2IrF6) (ICSD 95779)
  2182  (JSmol)              -447.3     -615.0       25.0   41.5   Sodium hexanitroiridate (Na3Ir(NO3)6 (ICSD 39572)
  2183  (JSmol)               190.1      219.1       29.7   84.1   Tetramethyl-(pentamethyl-cyclopentadienyl)-iridium (BAHWOW)
  2184  (JSmol)             26703.2     -597.0       97.6   13.7   bis((Hexa-ammine)-iridium(iii)) trioxalate tetrahydrate (XEDNID)
  2185  (JSmol)                97.7      -29.2       15.6   96.1   bis(mu-2-Chloro)-bis(1,5-cyclo-octadiene)-di-iridium(i) (QQQCXA02)
  2186  (JSmol)              -121.1      -23.8       18.0   66.8   fac-(1,4,7-Triazacyclononane-trichloro-iridium) (YAPGOL)
  2187  (JSmol)              -178.3     -237.7       25.3   59.4   fac-Tetraethylammonium trichloro-trifluoro-iridium(v) (MAKGUA)
  2188  (JSmol)              -538.7     -564.1       19.8   17.5   tris((R,R)-trans-1,2-Cyclohexanediamine-N,N')-iridium(iii) trinitrate trihydrate (ZEDKIC)
  2189  (JSmol)               -16.3       45.9       12.2   76.6   tris(1-Pyrrolidinecarbodithioato)-iridium(iii) benzene solvate (PYTCIR)
  2190  (JSmol)              -248.0      -45.7       21.3   23.6   tris(Tetrabutylammonium) trans-dibromo-tetrathiocyanato-iridium(iii) (LOFKUM)
  2191  (JSmol)                23.4        -.-       28.5    -.-   tris(dithioacetato)-iridium (CEDFEX)
  2192  (JSmol)                79.4      175.7       38.9   75.5   Iridium(iii) triiodide (IrI3) (ICSD 541775)
  2193  (JSmol)             88191.5     3146.6       99.9    -.-   Cesium hexachloroiridate(iv) (Cs2IrCl6) (ICSD 69142)
  2194  (JSmol)              -226.4     -472.9       51.0   79.7   tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
  2195  (JSmol)              -792.0     -891.5       22.6   78.3   hexakis(mu-2-Acetato)-triaqua-(mu-3-oxo)-tri-iridium(iii,iii,iv) dinitrate (ZULRUT)
  2196  (JSmol)              -486.2     -450.1       18.3   32.6   (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
  2197  (JSmol)              -205.3     -157.6       15.4    7.2   N,N,N',N'-Tetramethylethylenediammonium hexachloro-platinum(iv) (CULZOY)
  2198  (JSmol)              -111.7      -97.9       19.6   14.5   N,N,N',N'-Tetramethylethylenediammonium tetrachloro-platinum(ii) (CULZIS)
  2199  (JSmol)     0.0        16.2      -10.8       36.8   28.4   Platinum (Pt) (ICSD 649490) fcc
  2200  (JSmol)   -19.6       -21.7       -4.7       10.6   15.5   Platinum(ii) bromide (PtBr2)
  2201  (JSmol)   -29.5         2.1       -6.3        6.8   17.1   Platinum(ii) chloride (PtCl2)
  2202  (JSmol)   -26.0       -50.8        0.3       24.8   37.0   Platinum(iv) disulfide (PtS2) (ICSD 41375)
  2203  (JSmol)   -55.4       -30.9        4.7       43.0   68.6   Platinum(iv) tetrachloride (PtCl4) (ICSD 22073)
  2204  (JSmol)              -135.3     -179.8       14.5   62.5   Platinum(iv) tetrafluoride (PtF4) (ICSD 71579)
  2205  (JSmol)              -274.9     -250.7        3.3   16.0   Potassium hexachloroplatinate(iv) (K2PtCl6) (ICSD 68765)
  2206  (JSmol)              -481.1     -556.4       47.2   18.3   Potassium hexafluoroplatinate(iv) (K2PtF6) (ICSD 16892)
  2207  (JSmol)              -538.5     -550.8        8.3   54.1   Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
  2208  (JSmol)               -57.1      -59.0       11.2    9.6   Tetraethylammonium tetrabromo-di-mu-bromo-diplatinum(ii) (ETABPT01)
  2209  (JSmol)              -185.6     -155.4       22.9   23.3   Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
  2210  (JSmol)              -102.1     -125.0       21.6   20.5   bis(1,2-Ethylenediamine-N,N')-platinum(ii) dichloride (ZZZEDM02)
  2211  (JSmol)             -2910.6    -2803.0       17.9   22.6   bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
  2212  (JSmol)              -286.7     -828.6       30.8   67.8   bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
  2213  (JSmol)              -371.3     -360.0       22.6   26.6   bis(Guanidinium) bis(oxalato)-platinum(ii) (AJESEN)
  2214  (JSmol)              -228.7     -156.6       21.4   11.9   bis(Tetramethylammonium) hexachloro-platinum(iv) (TMAMPC)
  2215  (JSmol)              -338.3     -325.3       26.0   36.1   bis(Tetramethylammonium) hexafluoroplatinate(iv) (TMAPTF01)
  2216  (JSmol)              -284.5     -167.4       18.4   14.3   bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
  2217  (JSmol)               -11.8        -.-       22.2    -.-   Platinum(ii) iodide (PtI2)
  2218  (JSmol)   -17.4       -21.5     -112.7       11.4   33.6   Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
  2219  (JSmol)               -73.4     -154.0       20.9   25.6   Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)
  2220  (JSmol)              -394.1     -380.4       20.2   29.3   (18-Crown-6)-rubidium tetrachloro-gold(iii) (DONYOU)
  2221  (JSmol)              -148.8     -212.7       32.9   28.2   (18-Crown-6)-rubidium tetracyano-gold(iii) (DONYUA)
  2222  (JSmol)              -342.6     -338.6       34.4   48.7   18-Crown-6 potassium dichloroaurate(i) (MUVTAY)
  2223  (JSmol)               109.4       65.4       35.3   26.3   2,2'-Bipyridyl potassium dicyano-gold(i) (PCAUPY)
  2224  (JSmol)                29.6       -3.4       32.2   40.2   Chloro-(1,3-dimethylimidazol-2-ylidene)-gold(i) (FIBXIY)
  2225  (JSmol)               -72.8      -64.3       19.2   32.5   Chloro-(bis(2-aminoethyl)amido)-gold(iii) perchlorate (CAEAUC)
  2226  (JSmol)                93.9       64.9       23.9   51.6   Cyano-(methylisocyanide)-gold(i) (CYMIAU)
  2227  (JSmol)               -83.1     -121.0       34.9   37.4   Dichloro-(1,2-ethanediamine)-gold(iii) nitrate (DUBNUK)
  2228  (JSmol)               -64.4      -71.5       18.9   19.3   Dichloro-(dihydroxy-di-2-pyridylmethane)-gold(iii) chloride (BATTOF)
  2229  (JSmol)              -217.0     -221.1       19.1   29.1   Dicycle 18-crown-6 potassium dicyano-gold (COXCUN)
  2230  (JSmol)               -24.9      -33.6       18.4   23.3   Dimethyl-(acetylacetonato)-gold(iii) (XIRPAQ)
  2231  (JSmol)                17.9       24.0       47.9   23.9   Dimethylgold-bis(mu-2-bromo)-dibromo-gold (MEBRAU)
  2232  (JSmol)     0.0       -40.3      -58.3       55.4   57.4   Gold (Au) (ICSD 52249)
  2233  (JSmol)    -3.3        -1.7      -18.1       31.8   86.6   Gold(i) bromide (AuBr) (ICSD 200287)
  2234  (JSmol)    -8.3       -20.3      -96.7       34.1   64.6   Gold(i) chloride (AuCl) (ICSD 6052)
  2235  (JSmol)                15.2       57.7       60.3   38.3   Gold(i) cyanide(AuCN)
  2236  (JSmol)   -86.9       -69.0     -169.8       63.4   92.5   Gold(iii) fluoride (AuF3) (ICSD 16876)
  2237  (JSmol)   -12.7        -0.7       11.0       64.8   31.5   Gold(iii) tribromide (AuBr3) (ICSD 4069)
  2238  (JSmol)   -28.1        20.6      -40.3       19.6   52.9   Gold(iii) trichloride (AuCl3) (ICSD 22146)
  2239  (JSmol)               -62.7      -80.6       20.0   26.6   Guanidinium tetrachloro-gold(iii) (DILJIR)
  2240  (JSmol)                79.8       59.3       49.3   32.6   Tetramethylammonium auride (ICICAY)
  2241  (JSmol)               -72.6      -67.5       25.1   19.9   Tribromo-(trimethylphosphine) gold (BRMPAU)
  2242  (JSmol)               -21.2       -5.9       43.4   19.1   Tribromo-dimethylsulfido-gold(iii) (GIGWEY)
  2243  (JSmol)                74.7       60.3       32.9   75.1   bis((mu-2-Methylamido)-dimethyl-gold(iii)) (DEVLUL)
  2244  (JSmol)              -329.4     -387.5       21.2   21.0   bis(15-Crown-5)-potassium bis(1,2-dicyanoethene-1,2-dithiolato-S,S')-gold(i) (CEBHAT)
  2245  (JSmol)               -57.3      -94.3       13.0   70.6   bis(Azacyclohexadienylidene)-gold(i) chloride dihydrate (WEKKIG)
  2246  (JSmol)              -361.0     -403.7       24.7   52.8   bis(Methyl isocyanide)-gold(i) hexafluorophosphate (LUVJIV)
  2247  (JSmol)               -50.8      -82.9       18.7   47.8   bis(Thiourea)-gold(i) chloride (AFAWUZ)
  2248  (JSmol)               -47.9      -35.6       28.0   66.6   bis(mu-2-Acetato)-tetramethyl-di-gold(iii) (MIRFUP)
  2249  (JSmol)              -169.4     -216.6       14.0   17.4   bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
  2250  (JSmol)              -130.9     -156.8       23.3   38.5   p-Phenylenediammonium tetrabromo-gold(iii) bromide monohydrate (GEVHAR)
  2251  (JSmol)                34.9        7.7       49.8   31.1   tetrakis((mu-2-Hydroxo)-dimethyl-gold) (DMAUHT)
  2252  (JSmol)     0.0        -0.7       13.2       62.7   44.8   Gold(i) iodide (AuI) (ICSD 24619)
  2253  (JSmol)               104.1      174.2       43.2   38.9   bis(bis(Ethylenedithio)-tetrathiafulvalene) di-iodo-gold(i) (DECCUJ02)
  2254  (JSmol)               -13.7      -62.7       24.3   34.3   Triiodo-trimethylphosphine-gold(iii) (ABANOH)
  2255  (JSmol)                61.7      -22.1       48.8   51.9   Pyridinium tetrakis(iodo)-gold(iii) (UCILUO)
  2256  (JSmol)                 9.1      -28.9       18.5   41.6   Triethylsulfonium tetraiodoaurate (GEJQIV)
  2257  (JSmol)              -370.1     -509.6       46.4   76.6   Magnesium hydrogen fluoride tetrafluoroaurate hexafluoroaurate (MgHF(AuF4)(AuF6)) (ICSD 415872)
  2258  (JSmol)              -194.3     -204.9       30.6   35.3   Tetra-ammine-palladium(ii) tetrachloro-gold(iii) (KIYVUK)
  2259  (JSmol)                17.9      -19.3       40.4   27.7   bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
  2260  (JSmol)                43.2      -84.2       33.5   48.3   Bromo-dimethylsulfido-gold(i) (GIGWAU)
  2261  (JSmol)              -296.5     -297.3       18.8   35.1   18-Crown-6-dibromo-mercury(II) (POLKEG)
  2262  (JSmol)              -321.7     -288.6       16.0    8.0   18-Crown-6-dichloro-mercury(II) (CESZOP)
  2263  (JSmol)   -13.9        -5.0      -58.0       32.8   17.3   Cinnabar (HgS)
  2264  (JSmol)     0.0         0.7      -63.4       42.9   79.7   Mercury (Hg) (ICSD 104296) hcp
  2265  (JSmol)   -24.9       -13.6      -54.2       36.5   82.6   Mercury bromide (HgBr) (ICSD 1405393)
  2266  (JSmol)   -40.8       -43.5      -49.8       27.1   68.0   Mercury dibromide (HgBr2)
  2267  (JSmol)   -53.6       -54.0      -29.6       50.4   70.2   Mercury dichloride (HgCl2)
  2268  (JSmol)   -70.3       -54.1     -125.2       28.8   46.8   Mercury difluoride (HgF2)
  2269  (JSmol)   -21.7       -32.4      -19.7       34.1   57.5   Mercury oxide (HgO) (ICSD 15890)
  2270  (JSmol)  -169.1      -186.1     -223.9       17.7   19.1   Mercury(ii) sulfate (HgSO4) (ICSD 100316)
  2271  (JSmol)  -169.1      -186.1     -223.9       20.8   20.5   Mercury(ii) sulfate (HgSO4) (ICSD 25773)
  2272  (JSmol)               -11.4      -59.3       13.4   30.7   Metacinnabar (HgS)
  2273  (JSmol)    -7.7        27.2     -108.3       10.4    9.8   Potassium tetracyanomercurate (K2Hg(CN)4) (ICSD 62084)
  2274  (JSmol)               -87.9      -95.7       20.1   26.3   Tetramethylammonium mercury tribromide (TMAHGB)
  2275  (JSmol)              -483.8     -749.4       16.6   51.4   bis(15-Crown-5-sodium) bis(tetraselenido)-mercury (SANBAK)
  2276  (JSmol)              -162.7     -154.8       37.3   44.7   bis(Guanidinium) tetrabromido-mercury(ii) (JISFUN01)
  2277  (JSmol)              -144.8     -127.1       11.6    8.7   bis(Tetramethylammonium) tetrabromo-mercury(ii) (MATBHG)
  2278  (JSmol)              -377.9     -426.1       29.2   32.9   bis(tris(Dimethylamino)sulfonium) bis(mu-2-fluoro)-tetrakis(trifluoromethyl)-mercury (TUQSUT)
  2279  (JSmol)   -10.0        -5.9     -296.0        1.3   98.8   Coloradoite (HgTe)
  2280  (JSmol)              -641.9     -726.4       19.8   20.5   (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
  2281  (JSmol)                22.5       -7.6       12.1   37.3   (2,2'-Bipyridine)-di-iodo-mercury(ii) (CUDWIH)
  2282  (JSmol)              -277.5     -265.4       18.8   25.8   18-crown-6-di-iodo-mercury(ii) (DENZUR01)
  2283  (JSmol)                 9.0       -8.9       24.3   29.7   Di-iodo-dipyridine-mercury(ii) (BEJLEH)
  2284  (JSmol)   -25.3        -8.2      -49.4       65.3   39.5   Mercury diiodide (HgI2)
  2285  (JSmol)               -60.8     -220.8       16.1   43.6   Mercury(ii) bisiodate (Hg(IO3)2) (ICSD 98546)
  2286  (JSmol)   -25.2        -8.3      -50.1       63.2   41.3   Mercury(ii) iodide (HgI2) (ICSD 412988)
  2287  (JSmol)              -105.0      -90.7       10.8   24.1   bis(Tetramethylammonium) tetraiodo-mercury (JOKHIA)
  2288  (JSmol)   -49.4       -26.5      -29.1       36.6   71.5   Mercury bromide (Hg2Br2) (ICSD 31174)
  2289  (JSmol)  -105.1      -103.1     -294.9       35.0   70.6   Mercury fluoride (Hg2F2) (ICSD 72354)
  2290  (JSmol)              -494.6     -544.8       13.2   60.0   Mercury niobate (Hg2Nb2O7) (ICSD 22226)
  2291  (JSmol)   -63.4       -38.5      -79.8       12.7   79.5   Mercury(i) chloride (Hg2Cl2) (ICSD 65441)
  2292  (JSmol)  -177.6      -201.4     -242.7       28.9   51.9   Mercury(i) sulfate (Hg2SO4) (ICSD 15005)
  2293  (JSmol)   -25.3        -0.6      -78.4       47.6   48.3   Mercury iodide (Hg2I2) (ICSD 36197)
  2294  (JSmol)               -96.6     -140.7       17.7   28.2   Di-iodo(ethylenediamine) mercury(ii) iodo(ethylenediamine) mercury(ii) tri-iodo-mercury(ii) (ENTIHG)
  2295  (JSmol)              -189.9     -186.0       27.4   52.4   Dichloro-(18-crown-6)-thallium tetrachloro-thallate (XORQIE)
  2296  (JSmol)              -526.4     -885.9       15.3   56.6   Potassium hexafluorothallate(iii) (K3TlF6) (ICSD 19068)
  2297  (JSmol)              -527.9     -771.8       54.9   49.5   Rubidium hexafluorothallate(iii) (Rb3TlF6) (ICSD 19075)
  2298  (JSmol)     0.0        -1.5      -90.2       47.5   67.3   Thallium (Tl) (ICSD 52525) hcp
  2299  (JSmol)   -48.8       -50.2      -67.3       36.4   74.9   Thallium chloride (TlCl)
  2300  (JSmol)              -401.7     -444.8       21.1   34.5   Thallium hexafluoroarsenate (TlAsF6) (ICSD 417954)
  2301  (JSmol)              -426.5     -669.6        9.1   57.6   Thallium tetrafluoroaluminate (TlAlF4)
  2302  (JSmol)   -41.4       -31.1      -44.6       35.8   67.4   Thallium(i) bromide (TlBr) (ICSD 541941)
  2303  (JSmol)   -77.6       -62.6     -119.4       35.9   41.0   Thallium(i) fluoride (TlF) (ICSD 90992)
  2304  (JSmol)   -58.3       -45.3     -103.8       27.8   59.1   Thallium(i) nitrate (TlNO3)
  2305  (JSmol)               -30.2      -73.0       35.9   76.8   Thallium(i) tetrabromothallate(iii) (Tl2Br4) (ICSD 14216)
  2306  (JSmol)               -60.6      -42.9       56.5   54.2   Thallium(i) tetrachlorothallate(iii) (Tl2Cl4) (ICSD 4031)
  2307  (JSmol)   -75.3       -57.0      -35.9       16.8   48.5   Thallium(iii) trichloride (TlCl3) (ICSD 1300751)
  2308  (JSmol)               -94.8     -129.0       49.2   45.3   Thallium(iii) trifluoride (TlF3) (ICSD 10365)
  2309  (JSmol)              -599.5     -578.0       13.6   45.8   bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
  2310  (JSmol)              -153.1      -86.6       28.4   47.7   bis(Diamino-3-pyridinium) pentachloro thallium (PEVXEU)
  2311  (JSmol)              -445.3     -606.8       25.5   35.2   bis(2,2,2-Crypt-potassium) dithallium-ditellurium ethylenediamine solvate (BAKYIV)
  2312  (JSmol)             -1272.3    -1798.7       33.6   34.7   bis(Mesitylene)-thallium tetrateflate-boron (FIVCOC)
  2313  (JSmol)   -29.6       -15.5      -76.2       14.6   69.8   Thallium(i) iodide (TlI) (ICSD 61520)
  2314  (JSmol)              -127.0     -179.2       25.0   29.4   (18-Crown-6)-di-iodo-thallium tetra-iodo-thallium (ZEZFAL)
  2315  (JSmol)  -167.3      -153.5     -229.2       41.3   41.8   Thallium(i) carbonate (Tl2CO3) (ICSD 4239)
  2316  (JSmol)   -42.7       -32.1     -131.3       27.5   55.6   Thallium(i) oxide(Tl2O) (ICSD 77699)
  2317  (JSmol)  -222.7      -210.4     -288.1       28.3   44.4   Thallium(i) sulfate (Tl2SO4) (ICSD 1005224)
  2318  (JSmol)   -23.2       -36.5     -133.4       41.1   42.3   Thallium(i) sulfide (Tl2S) (ICSD 59735)
  2319  (JSmol)              -300.2     -628.5       46.3   66.9   Trithallium(i) phosphate (Tl3PO4)
  2320  (JSmol)              -378.6     -382.1       25.0   11.5   18-Crown-6-dibromo-lead(ii) (RUMQEV)
  2321  (JSmol)              -353.0     -360.8       32.7   27.7   18-Crown-6-dichloro-lead(ii) (NOMJUV)
  2322  (JSmol)  -219.9      -241.0     -232.6       29.6   60.2   Anglesite (PbSO4) (ICSD 109432)
  2323  (JSmol)              -319.9     -372.4       34.0   44.9   Calcium plumbate (Ca2PbO4) (ICSD 36629)
  2324  (JSmol)              -280.3     -303.9       38.9   17.9   Catena-((mu-4-Ethane-1,2-disulfonato-O,O',O'',O''')-bis(mu-3-fluoro)-di-lead(ii)) (TIQGAC)
  2325  (JSmol)  -167.1      -185.2     -193.5       21.9   41.3   Cerussite (PbCO3)
  2326  (JSmol)              -505.8     -495.0       21.9   18.5   Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)
  2327  (JSmol)  -222.5      -261.2     -280.0       40.3   46.0   Crocoite (PbCrO4)
  2328  (JSmol)              -337.7     -401.1       27.8   31.0   Descloizite (PbZn(VO4)(OH))
  2329  (JSmol)   -24.0         9.9      -28.9       42.8    9.6   Galena (PbS)
  2330  (JSmol)     0.0        36.8     -116.8       32.1   58.0   Lead (Pb) (ICSD 77863)
  2331  (JSmol)  -683.0      -668.0     -577.0       11.5   80.4   Lead borate (PbB4O7) (ICSD 1614467)
  2332  (JSmol)  -108.0       -95.7     -101.4       18.5   28.9   Lead nitrate (Pb(NO3)2) (ICSD 62698)
  2333  (JSmol)              -148.5     -142.9       37.2   67.3   Lead oxide hydrate (PbO2H2)
  2334  (JSmol)               -35.9     -727.4       28.7   97.2   Lead selenide (PbSe) (ICSD 648528)
  2335  (JSmol)  -273.8      -246.7     -274.3       23.4   12.0   Lead silicate (PbSiO3) (ICSD 250220)
  2336  (JSmol)   -16.9        -3.7      -34.3       25.7   62.9   Lead telluride (PbTe) (ICSD 648616)
  2337  (JSmol)   -66.6       -51.8      -59.2       25.0   52.9   Lead(ii) bromide (PbBr2)
  2338  (JSmol)   -85.9       -60.8      -82.7       47.3   62.0   Lead(ii) chloride (PbCl2)
  2339  (JSmol)  -158.7      -212.6     -315.5       44.9   51.3   Lead(ii) fluoride (PbF2)
  2340  (JSmol)                -1.1      -41.0       28.3   19.3   Lead(iv) tetrachloride (PbCl4) (ICSD 280975)
  2341  (JSmol)  -225.1      -190.8     -378.5       24.6   72.3   Lead(iv) tetrafluoride (PbF4) (ICSD 16795)
  2342  (JSmol)   -52.3       -70.9      -87.1       41.7   19.7   Litharge (PbO)
  2343  (JSmol)   -66.3       -20.3      -26.3       37.1   18.6   Plattnerite (PbO2) (Rutile structure)
  2344  (JSmol)              -461.0     -462.7       15.1   67.3   Sodium plumbate (Na6PbO4) (ICSD 21059)
  2345  (JSmol)  -251.4      -258.1     -260.1       44.4   16.0   Wulfenite (PbMoO4)
  2346  (JSmol)              -386.5     -363.5       37.0   38.6   bis((mu-2-Tetrafluoroborato-F,F')-(nu-5-pentamethyl-cyclopentadienyl))-lead (VALVOT)
  2347  (JSmol)              -118.5     -174.6       31.1   66.7   catena-(3,3'-Dichlorobenzidinedi-ium bis(mu-3-chloro)-bis(mu-2-chloro)-dichloro-di-lead(ii)) (COCPAM)
  2348  (JSmol)              -304.3     -326.0       12.6   32.8   18-crown-6-diiodo-lead(II) (TOJPIR)
  2349  (JSmol)   -41.9       -32.0      -57.0       39.9   57.7   Lead(ii) iodide (PbI2)
  2350  (JSmol)               -76.9      -80.9        9.9   26.1   Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
  2351  (JSmol)              -306.0     -264.5       42.7   66.1   Lead tungstate (PbWO4) (ICSD 16189)
  2352  (JSmol)              -315.6     -266.6       33.9   48.3   Lead tungstate (PbWO4) (ICSD 81550)
  2353  (JSmol)  -329.3      -329.5     -358.1       26.9   13.1   Lead orthosilicate (Pb2SiO4) (ICSD 26343)
  2354  (JSmol)              -350.0     -365.8       31.2   31.8   Phoenicochroite (Pb2CrO5)
  2355  (JSmol)              -257.5     -354.6       23.3   77.1   Phosgenite (Pb2(CO3)Cl2)
  2356  (JSmol)              -874.0     -694.8       16.0   17.5   bis(tris(Ethylenediamine)-cobalt(iii)) catena(bis(mu-2-chloro)-heptachloro-di-lead(ii)) chloride trihydrate (ENCOPB)
  2357  (JSmol)              -691.6     -727.4        5.6   11.4   catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
  2358  (JSmol)  -172.1      -162.9     -192.5       33.6   24.2   Lead oxide (Pb3O4) (ICSD 4106)
  2359  (JSmol)  -620.3      -605.0    -1041.1       24.6   56.7   Lead phosphate (Pb3(PO4)2) (ICSD 14247)
  2360  (JSmol)              -284.0     -298.0       18.2   17.5   Trilead dihydroxide dioxide (Pb3O4H2)
  2361  (JSmol)              -697.2     -905.0       11.8   45.5   catena-(tetrakis(Propane-1,3-diammonium) tetrakis(mu-2-bromo)-decabromo-tri-lead(ii) dihydrate) (CAKDIB)
  2362  (JSmol)              -662.3     -773.2       29.1   18.5   Mimetite (Pb5As3O12Cl)
  2363  (JSmol)              -976.2    -1559.5       29.2   54.5   Pyromorphite (Pb5(PO4)3(Cl))
  2364  (JSmol)             -1035.9    -1703.7       30.6   45.1   Pyromorphite (Pb5(PO4)3(F))
  2365  (JSmol)              -995.3    -1596.5       22.0   58.7   Pyromorphite (Pb5(PO4)3(OH))
  2366  (JSmol)              -874.0     -900.3       36.3   44.2   Vanadinite (Pb5(VO4)3Cl)
  2367  (JSmol)             -4394.4        -.-       31.2    -.-   Boleite (KPb26Ag9Cu24Cl62(OH)48)
  2368  (JSmol)     0.0       -36.8      -21.5       44.1   61.1   Bismuth (Bi) (ICSD 52724) cubic
  2369  (JSmol)     0.0       -33.9      -19.6       32.2   47.7   Bismuth (Bi) (ICSD 64703) hexagonal
  2370  (JSmol)   -87.7       -89.1     -115.7       59.6   76.0   Bismuth oxide bromide (BiOBr) (ICSD 61225)
  2371  (JSmol)   -87.7       -76.9      -53.0       23.3   47.1   Bismuth oxychloride (BiOCl) (ICSD 74502)
  2372  (JSmol)              -255.7     -184.7       78.0   65.1   Bismuth pentafluoride (BiF5) (ICSD 25023)
  2373  (JSmol)   -66.0       -58.4      -76.6       21.5   77.3   Bismuth tribromide (BiBr3) (ICSD 100294)
  2374  (JSmol)   -90.6      -110.2      -90.1       57.9   60.7   Bismuth trichloride (BiCl3) (ICSD 1250429)
  2375  (JSmol)  -215.0      -153.0     -204.3       45.4   36.8   Bismuth trifluoride (BiF3) (ICSD 9015)
  2376  (JSmol)   -36.1       -27.3      -52.4       28.1   31.9   Bismuth triiodide (BiI3) (ICSD 78791)
  2377  (JSmol)              -576.4     -841.5        6.8   50.5   Dipotassium (pentaformato-O,O')-bismuth (CAVZUU)
  2378  (JSmol)              -278.4     -223.3       66.9   87.4   Lithium hexafluorobismuthate (LiBiF6) (ICSD 15119)
  2379  (JSmol)              -397.8     -372.0       19.0   11.2   Nitrato-pentakis(thiourea)-bismuth(iii) dinitrate monohydrate (CELJIM)
  2380  (JSmol)             -1505.5    -1455.7       28.5   16.5   Nona-aqua-bismuth(iii) tris(triflate) (ZEZTUT)
  2381  (JSmol)              -899.2     -932.9       17.0   26.9   Potassium 18-crown-6 tris(perfluorophenylthiolato)-isothiocyanato-bismuth(iii) (YULBEM)
  2382  (JSmol)              -362.7     -616.2       49.3   72.8   Potassium hexafluorobismuthate (KBiF6) (ICSD 25024)
  2383  (JSmol)              -506.0     -656.7       79.4   73.4   Rubidium hexafluorobismuthate (RbBiF6) (ICSD 15121)
  2384  (JSmol)              -411.1     -741.7       72.9   78.8   Sodium hexafluorobismuthate (NaBiF6) (ICSD 15120)
  2385  (JSmol)               -17.5      -31.8       25.2   27.9   bis((mu-2-Bromo)-2,2'-bipyridine-dibromo-bismuth(iii)) acetonitrile solvate (PURQAU)
  2386  (JSmol)              -348.8     -292.2       77.1   76.0   bis(Dichloro-(18-crown-6)-bismuth(iii)) bis(mu-2-chloro)-bis(trichloro-bismuth(iii)) (KAMWOK)
  2387  (JSmol)              -338.5     -412.0       28.5   41.1   bis(Ethylenediammonium) hexabromo-bismuth(iii) bromide monohydrate (YINDUV)
  2388  (JSmol)               527.6      520.1       21.1   21.9   bis(Phthalocyaninato)-bismuth(iii) dichloromethane solvate (ZUWDAW)
  2389  (JSmol)              -195.7     -184.5       19.5   23.4   catena-((18-Crown-6)-dibromo-bismuth(iii) bis(mu-2-bromo)-dibromo-bismuth(iii)) (KOZMAN)
  2390  (JSmol)              -274.6     -232.2       34.6   27.9   catena-(Pentamethylenediammonium (mu-2-chloro)-tetrachloro-bismuth(iii)) (ACIKED)
  2391  (JSmol)              -586.0     -931.0       19.5   64.0   catena-(bis(18-Crown-6-potassium) bis(mu-4-thiocyanato-S,S,S,S,N)-bis(mu-2-thiocyanato-S,N)-bis(mu-2-isothiocyanato-N,S)-bismuth-potassium) (WETRIW)
  2392  (JSmol)              -408.1     -400.8       17.9   28.6   catena-(bis(Ammonium 18-crown-6 (mu2-chloro)-dichloro-(mu-2-thiocyanato-S,N)-bismuth)) (VEJREH)
  2393  (JSmol)              -908.9     -909.5       23.7   28.8   catena-(tris(1,2-ethanediaminium) bis(mu-2-sulfato)-bis(mu-2-sulfato)-bis(sulfato-diaqua-di-bismuth tetrahydrate (LOHDES)
  2394  (JSmol)                42.3       37.2       16.5   17.9   mer-Tri-iodo-tripyridyl-bismuth(iii) pyridine solvate (BIMCUV)
  2395  (JSmol)              -139.8     -118.0       21.6   17.4   tetrakis(2,2'-Bipyridinium) tetrakis((mu-2-chloro)-tetrachloro-bismuthate(iii)) (PURLOD01)
  2396  (JSmol)              -262.6     -263.4       15.2   17.5   tris(Diethylammonium) hexabromo-bismuth(iii) (DEJLUZ)
  2397  (JSmol)              -341.9     -667.5       79.5   74.7   Cesium hexafluorobismuthate (CsBiF6) (ICSD 15122)
  2398  (JSmol)  -137.2      -135.4      -95.9       40.5   42.1   Bismuth oxide (Bi2O3) (ICSD 2374)
  2399  (JSmol)   -34.2       -42.2      -69.8       17.5   23.6   Bismuth sulfide (Bi2S3) (ICSD 89323)
  2400  (JSmol)              -807.8     -669.1       21.6    6.5   catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
  2401  (JSmol)              -264.5     -573.1       25.8   58.7   tris(Guanidinium) tris(mu-2-bromo)-hexabromo-di-bismuth(iii) (ICUMUP)
  2402  (JSmol)              -184.9     -215.9       38.6   38.1   tris(Guanidinium) tris(mu-2-iodo)-hexaiodo-di-bismuth(iii) (LOFROO)
  2403  (JSmol)              -882.2    -1529.4       30.0   81.0   (mu-2-Dibismuthide)-diammine-bis(18-crown-6)-di-cesium ammonia solvate (SAJROL)
  2404  (JSmol)             -1795.2    -1790.6       29.4   20.0   Difluoro-tris(pentafluorophenyl)-bismuth bis(tris(pentafluorophenyl)-bismuth) (SETNOU)
  2405  (JSmol)              -642.2     -659.3       31.7   20.4   Potassium octapyridinium tris(hexachlorobismuthate(iii)) (BIPGAJ)