Time stamp: Sun Jul 12 17:28:18 2020 HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

Comparison of Structures of 1442 Oxygen-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

(All solids - Periodic Table - Home - Accuracy - Manual)

Average unsigned error in PM7 HoF: 15.73 kcal/mol, for 313 solids
Average unsigned error in PM6-D3H4 HoF: 119.68 kcal/mol, for 307 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
    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)
   320  (JSmol)              -137.3     -137.1       47.8   14.1   p-Fluorobenzoic acid (PFBZAD01)
   326  (JSmol)              -169.6     -164.8       16.1   20.2   (S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (SOCLIF)
   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)
   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)
   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)
   370  (JSmol)             -1278.8    -1263.3       20.2   22.5   tris(Hexafluoroacetylacetonato) magnesium 1-dimethylammonium-8-dimethylamino-naphthalene (NAFAMG10)
   372  (JSmol)             -1535.2    -1400.3       24.2   14.8   Hydromagnesite (Mg5(CO3)4(OH)2 4(H2O))
   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)
   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)
   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)
   394  (JSmol) -1344.0     -1384.7    -1228.7       33.1    8.0   Beryllium hexaaluminate (BeAl6O10) (ICSD 95408)
   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)
   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))
   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)
   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)
   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))
   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)
   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)
   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)
   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))
   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))
   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
   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)
   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))
   557  (JSmol)              -460.6     -466.6       16.2   26.1   4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
   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))
   572  (JSmol)              -886.2     -827.9       10.7   13.6   Aluminum sulfate (Al2(SO4)3) (ICSD 73249)
   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))
   580  (JSmol)              -592.9     -586.1       16.8   16.2   Sildenafil citrate monohydrate
   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
   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
   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
   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
   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)
   647  (JSmol)              -156.8     -147.0       25.1   14.3   Chloral hydrate (CHORLH01)
   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
   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(-)]
   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)
   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)
   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)
   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)
   710  (JSmol)              -999.1     -965.8       11.1   23.8   Wadelite (K2Si4O9)
   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))
   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)
   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))
   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)
   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)
   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)
   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)
   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)
   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)
   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)
   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)
   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)
   811  (JSmol)              -803.0     -552.9       29.9   39.3   Titanium(iii) perchlorate-hexa-urea complex (TIUERA)
   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)
   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)
   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)
   829  (JSmol)              -482.2     -457.2       13.1   28.5   Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
   832  (JSmol)             -1012.5    -1009.9       35.2   25.7   bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
   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)
   837  (JSmol)              -379.1     -460.9       14.9   27.4   hexakis(Methanol)-vanadium(ii) dichloride (DATBUV)
   840  (JSmol)              -558.5     -487.6       29.0   18.2   Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
   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)
   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)
   858  (JSmol)              -430.5     -440.9       32.0   38.6   o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
   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)
   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)
   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)
   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)
   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)
   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)
   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)
   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)
   933  (JSmol)             53423.3     -338.2       79.3   49.3   Iron(ii) dichloride tetrahydrate (FeCl2 4(H2O))
   937  (JSmol)              -303.6     -221.9       45.0   46.3   beta-Alaninium tetrachloro-iron(iii) (BALACF)
   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)
   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)
   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)
   957  (JSmol)              -223.0     -370.7       28.1   96.0   Lithium tetracarbonyl-cobalt (FUBYUW)
   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)
   964  (JSmol)              -213.9     -393.7       46.2   94.9   Sodium tetracarbonyl-cobalt (FUBYOQ)
   967  (JSmol)  -212.3      -222.1        -.-       25.5    -.-   Cobalt(ii) sulfate (CoSO4) (ICSD 33736)
   969  (JSmol)               -76.7       93.6       33.7   55.5   pentakis(Methylisonitrile)-cobalt(i) perchlorate (MINCOP)
   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)
   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)
   988  (JSmol)              -136.1     -487.9       18.4   20.0   Hexa-ammine-nickel(ii) bis(trinitromethanide) (XIRNUI)
   991  (JSmol)               -67.0       -2.4       52.8   42.6   Nickel oxide (NiO) (ICSD 76669)
   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)
   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)
  1004  (JSmol)              -177.7     -235.4       17.4   14.3   bis(bis(2-Aminoethyl)amine)-nickel(ii) dichloride monohydrate (AEAMNI10)
  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)
  1014  (JSmol)              -324.6     -306.9       26.2   31.5   Cis Cu Diglycine (CUGLYM02)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1076  (JSmol)  -234.9      -191.4     -222.1       22.3   30.6   Zinkosite (ZnSO4)
  1079  (JSmol)              -804.6     -836.0       24.5   19.7   Hardystonite ((CaO)2(ZnO)(SiO2)2)
  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)
  1090  (JSmol)              -363.0     -345.2       14.4   12.2   tris(Acetylacetonato)-gallium(iii) (ACACGA)
  1092  (JSmol)              -719.5    -1064.1       14.1   43.0   catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
  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)
  1107  (JSmol)  -138.6      -121.7     -129.1       13.5   11.0   Germanium(iv) dioxide (GeO2) (ICSD 59639)
  1112  (JSmol)              -243.8     -179.4       38.0   34.9   1,4-Dioxane dichloro-germanium (DIOXGC03)
  1117  (JSmol)              -704.4     -680.1       14.2    9.7   catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
  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))
  1133  (JSmol)              -532.9     -480.0       10.1   14.5   tris(Ethylenediamine)-cobalt(iii) arsenate trihydrate (BIRSUO)
  1135  (JSmol)              -246.9     -181.4       11.6    0.6   Adamite (Zn2(AsO4)(OH))
  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)
  1140  (JSmol)              -305.5     -385.0       24.0   30.3   Potassium dihydrogen arsenate (KHAs2O6)
  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
  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)
  1153  (JSmol)              -117.9      -82.6       29.1   48.3   Selenium dioxide (SeO2) (ICSD 412233)
  1155  (JSmol)              -186.2     -274.2       56.9   32.9   Sodium selenate (Na2SeO3) (ICSD 280941)
  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)
  1163  (JSmol)              -207.4     -168.4       15.6   22.8   tris(Selenourea) dichloride monohydrate (SECLUR)
  1167  (JSmol)              -461.8     -643.7       24.1   46.8   bis(15-Crown-5-sodium) bis(tetraselenido)-zinc (SAMZUB)
  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)
  1174  (JSmol)              -248.2     -248.6       16.8   11.7   Munchnone (BFAXZO)
  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)
  1182  (JSmol)               -85.5      -81.5       25.8   20.1   V (BOQWIN)
  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)
  1188  (JSmol)              -225.1        -.-       20.1    -.-   Trans Cu DiGly (IWUBEH)
  1194  (JSmol)              -943.4     -924.2       26.3   34.2   Hexa-aqua-magnesium(ii) 18-crown-6 dibromide dihydrate (IFOYAE)
  1197  (JSmol)              -666.2     -625.5       21.9   18.1   bis((mu-2-N,N-diethylcarbamato-O,O,O')-bromo-bis(tetrahydrofuran)-magnesium) (HOYVUM)
  1200  (JSmol)              -226.1     -238.8       16.0   16.8   bis(Guanidinium) eosinate trihydrate (BOJFEM)
  1204  (JSmol)              -365.9     -338.2       19.9   14.9   Dibromo-tetrakis(tetrahydrofuran)-calcium naphthalene solvate (NITPUC)
  1210  (JSmol)              -331.5     -355.3       22.2   20.0   bis(Triethyleneglycol-O,O')-manganese(ii) dibromide (BOTHIC)
  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)
  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)
  1236  (JSmol)              -268.7     -271.4       12.8   30.0   Tribromo-(15-crown-5)-arsenic (JIGSUN)
  1251  (JSmol)              -150.7     -256.0       27.8   34.8   bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1332  (JSmol)             -1173.3    -1384.3       11.1   44.1   Pentapotassium octakis(formato)-yttrium (CAVYUT)
  1335  (JSmol)              -870.9     -896.0       24.7   24.9   hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
  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)
  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)
  1343  (JSmol)  -486.0      -498.0     -467.8        8.2   51.4   Zircon (ZrSiO4)
  1347  (JSmol)  -529.9      -557.0     -560.5       22.2   15.2   Zirconium(iv) sulfate (ZrS2O8) (ICSD 16001)
  1353  (JSmol)              -989.4     -985.4       22.9   26.2   bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
  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)
  1364  (JSmol)  -210.2      -217.7     -178.2       26.7   69.0   Niobium(v) oxychloride (NbOCl3) (ICSD 412071)
  1367  (JSmol)             -1452.8    -1405.7       11.4   28.0   Trityl hexakis(pentafluorophenoxy)-niobium (QINKIH)
  1369  (JSmol)              -885.8     -904.5       21.8   23.8   catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
  1371  (JSmol)              -167.1     -141.4       29.2   25.9   tris(Diethyl ether)-lithium hexamethyl-niobium(v) (POZJAP)
  1373  (JSmol)              -218.6     -184.1       16.2   28.6   (18-Crown-6-potassium) (h5-cyclopentadienyl)-(h7-heptatrienyl)-niobium (KOSMEK)
  1376  (JSmol)  -454.0      -431.6     -323.1       16.6   52.6   Niobium(v) pentoxide (Nb2O5) (ICSD 71317)
  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)
  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)
  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)
  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)
  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)
  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)
  1410  (JSmol)  -256.9      -240.0     -355.6       26.6   23.9   Iron molybdate (FeMoO4) (ICSD 312170)
  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)
  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)
  1421  (JSmol)              -137.7     -148.6       25.0   27.6   Tetramethylammonium pertechnetate (DUGNEY10)
  1423  (JSmol)              -228.4     -169.5       22.3   31.3   bis(Trichloro-tris(dimethylsulfoxide)-technetium(iv)) hexachloro-technetate(iv) (JEPQOL)
  1426  (JSmol)              -203.5     -158.9       24.4   55.4   fac-Tricarbonyl-(1,4,7-trithiacyclononane)-technetium(i) bromide (NUMRES)
  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)
  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)
  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)
  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)
  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)
  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)
  1467  (JSmol)   -20.4       -39.9        2.5       37.9   32.3   Palladium(ii) oxide (PdO) (ICSD 24692)
  1469  (JSmol)              -717.2     -708.1       28.1   62.5   Potassium bis(oxalato-O,O')-palladium(ii) tetrahydrate (POXPDH)
  1471  (JSmol)              -205.8     -172.5       30.9   24.5   Tetra-azacyclotetradecane-palladium(ii) diperchlorate (BUXSIW10)
  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)
  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)
  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)
  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)
  1501  (JSmol)               -20.9     -513.3        0.4   52.6   bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1536  (JSmol)  -174.9      -220.3     -866.7       54.6   92.9   Silver chromate (Ag2CrO4) (ICSD 160644)
  1538  (JSmol)                51.4     -773.9       89.3   96.9   Acetylide-octa-silver hexanitrate (SOVNEW01)
  1541  (JSmol)              -130.2      -66.7       28.7   54.6   Cadmium dinitrate (Cd(NO3)2) (ICSD 297)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1582  (JSmol)              -576.5     -637.0       55.0   27.9   Potassium bis(oxalato)-tin(ii) monohydrate (KSNOXL)
  1588  (JSmol)   -67.1       -76.3      -27.6       53.8   43.2   Tin(ii) oxide (SnO) (ICSD 16481)
  1590  (JSmol)              -580.8     -620.7       18.0   21.1   bis(3-Carboxyanilinium) hexafluorostannate(iv) (FICWAQ)
  1592  (JSmol)              -437.9     -526.7       16.0   13.9   catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
  1599  (JSmol)              -811.6     -755.2       13.2    9.4   Calcium bis(tris(acetato) tin(ii)) (TACSNC)
  1601  (JSmol)              -546.2     -526.2       23.2   49.0   bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
  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)
  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)
  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)
  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)
  1636  (JSmol)              -881.5     -913.8       21.9   16.0   bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
  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)
  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)
  1647  (JSmol)              -111.8     -119.9       17.9   23.8   Tellurium dioxide (TeO2) (ICSD 62897)
  1653  (JSmol)              -204.2        -.-       29.9    -.-   catena-(hexakis(mu-2-Methanolato)-di-sodium ditelluride) (ZOMWON)
  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)
  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)
  1671  (JSmol)             -1543.8    -1989.5       33.6   30.3   Tellurium phosphate (Te8O10(PO4)4) (ICSD 100151)
  1674  (JSmol)               -90.5     -129.8       20.6   22.1   4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
  1677  (JSmol)              -622.8     -614.1        6.0    5.7   Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1679  (JSmol)   -55.0       -60.2     -198.8       20.9   59.1   Hydrogen iodate (HIO3) (ICSD 66643)
  1684  (JSmol)              -124.7     -140.5       40.0   14.2   Lithium iodide hydrate (LiI H2O) (ICSD 86231)
  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)
  1694  (JSmol)   -75.3       -77.4      -82.7       29.2    1.0   p-Iodobenzoic acid (BENMOW04)
  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)
  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)
  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)
  1714  (JSmol)               -96.6       38.4       15.3   88.0   Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
  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)
  1719  (JSmol)              -113.5     -162.8       16.4   12.6   Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  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)
  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)
  1752  (JSmol)              -339.8     -698.3       24.3   42.0   a,e-Diaminocapronic acid iodic acid (HIRMOK)
  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)
  1765  (JSmol)              -456.8     -431.0       28.3   35.9   18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
  1770  (JSmol)              -168.7     -465.6       12.7   34.7   (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
  1781  (JSmol)              -105.0      -35.7       14.7   46.0   Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  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)
  1792  (JSmol)              -733.1     -837.8       17.2   31.8   Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
  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)
  1799  (JSmol)              -197.7      108.3       57.8   95.7   Xenon difluoride dioxide (XeF2O2) (ICSD 10203)
  1804  (JSmol)              -152.7       49.7       70.5   98.9   Xenon trioxide (XeO3) (ICSD 26627)
  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)
  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)
  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)
  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)
  1828  (JSmol)              -482.5     -561.1       35.6   62.0   Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
  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)
  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)
  1840  (JSmol)              -475.1     -685.9       32.9   30.9   Cesium phosphate (Cs3PO4) (ICSD 161678)
  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)
  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)
  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)
  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)
  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)
  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)
  1875  (JSmol)              -368.7     -635.5       15.3   25.0   Barium cryptate(222) tetraselenide ethylenediamine solvate (BINDEH10)
  1878  (JSmol)  -326.5      -329.4     -669.8       31.4   84.4   Barium bromide dihydrate (BaBr2 2(H2O)) (ICSD 33949)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  2017  (JSmol)              -222.8     -464.2       21.8   38.5   Lu Complex Sparkle (ICSD 410763)
  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)
  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)
  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)
  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)
  2042  (JSmol)  -273.6      -276.3     -246.5       24.5   82.9   Hafnium(iv) dioxide (HfO2) (ICSD 27313)
  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)
  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)
  2056  (JSmol)               -89.1      -38.9       25.1   32.2   (cryptand)-sodium tris(1,2,3-h-cycloocta-1,3,5-trienyl)-tantalum (OGISAY)
  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)
  2062  (JSmol)              -844.4     -843.3       24.8   27.7   Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
  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)
  2075  (JSmol)              -138.3      -83.3       29.4   29.7   tris(Diethyl ether)-lithium hexamethyl-tantalum(v) (POZHUH)
  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)
  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)
  2094  (JSmol)  -186.5      -183.2     -197.0       23.4   23.2   Tungsten chloride oxide (WO2Cl2) (ICSD 28510)
  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)
  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)
  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
  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)
  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)
  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)
  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)
  2144  (JSmol)   -94.2       -76.0     -152.6       20.1   39.2   Osmium(viii) tetroxide (OsO4)
  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)
  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)
  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)
  2163  (JSmol)               -67.8      -53.9       16.1   15.0   trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
  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)
  2171  (JSmol)              -104.9      -42.8       24.0   88.7   Dicarbonyl-(acetylacetonato-O,O')-iridium(i) (ACRHCO02)
  2178  (JSmol)   -65.5       -69.7    -6752.0       16.2    -.-   Iridium(iv) dioxide (IrO2) (ICSD 81028)
  2182  (JSmol)              -447.3     -615.0       25.0   41.5   Sodium hexanitroiridate (Na3Ir(NO3)6 (ICSD 39572)
  2184  (JSmol)             26703.2     -597.0       97.6   13.7   bis((Hexa-ammine)-iridium(iii)) trioxalate tetrahydrate (XEDNID)
  2188  (JSmol)              -538.7     -564.1       19.8   17.5   tris((R,R)-trans-1,2-Cyclohexanediamine-N,N')-iridium(iii) trinitrate trihydrate (ZEDKIC)
  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)
  2207  (JSmol)              -538.5     -550.8        8.3   54.1   Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
  2209  (JSmol)              -185.6     -155.4       22.9   23.3   Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
  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)
  2216  (JSmol)              -284.5     -167.4       18.4   14.3   bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
  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)
  2225  (JSmol)               -72.8      -64.3       19.2   32.5   Chloro-(bis(2-aminoethyl)amido)-gold(iii) perchlorate (CAEAUC)
  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)
  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)
  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)
  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)
  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)
  2275  (JSmol)              -483.8     -749.4       16.6   51.4   bis(15-Crown-5-sodium) bis(tetraselenido)-mercury (SANBAK)
  2280  (JSmol)              -641.9     -726.4       19.8   20.5   (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
  2282  (JSmol)              -277.5     -265.4       18.8   25.8   18-crown-6-di-iodo-mercury(ii) (DENZUR01)
  2285  (JSmol)               -60.8     -220.8       16.1   43.6   Mercury(ii) bisiodate (Hg(IO3)2) (ICSD 98546)
  2290  (JSmol)              -494.6     -544.8       13.2   60.0   Mercury niobate (Hg2Nb2O7) (ICSD 22226)
  2292  (JSmol)  -177.6      -201.4     -242.7       28.9   51.9   Mercury(i) sulfate (Hg2SO4) (ICSD 15005)
  2295  (JSmol)              -189.9     -186.0       27.4   52.4   Dichloro-(18-crown-6)-thallium tetrachloro-thallate (XORQIE)
  2304  (JSmol)   -58.3       -45.3     -103.8       27.8   59.1   Thallium(i) nitrate (TlNO3)
  2309  (JSmol)              -599.5     -578.0       13.6   45.8   bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
  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)
  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)
  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))
  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)
  2335  (JSmol)  -273.8      -246.7     -274.3       23.4   12.0   Lead silicate (PbSiO3) (ICSD 250220)
  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)
  2348  (JSmol)              -304.3     -326.0       12.6   32.8   18-crown-6-diiodo-lead(II) (TOJPIR)
  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)
  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)
  2377  (JSmol)              -576.4     -841.5        6.8   50.5   Dipotassium (pentaformato-O,O')-bismuth (CAVZUU)
  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)
  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)
  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)
  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)
  2398  (JSmol)  -137.2      -135.4      -95.9       40.5   42.1   Bismuth oxide (Bi2O3) (ICSD 2374)
  2400  (JSmol)              -807.8     -669.1       21.6    6.5   catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
  2403  (JSmol)              -882.2    -1529.4       30.0   81.0   (mu-2-Dibismuthide)-diammine-bis(18-crown-6)-di-cesium ammonia solvate (SAJROL)