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 1379 Oxygen-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 15.19 kcal/mol, for 313 solids
Average unsigned error in PM6 HoF: 1065.89 kcal/mol, for 313 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
68 (JSmol) -67.7 -51.0 11.7 4.8 Ice-10
69 (JSmol) -69.7 -77.9 -64.6 15.8 20.9 Ice-11
70 (JSmol) -75.9 -64.6 18.1 24.5 Ice-12
71 (JSmol) -75.5 -64.7 15.2 24.4 Ice-13
72 (JSmol) -75.3 -64.6 22.1 22.4 Ice-14
73 (JSmol) -77.1 -64.8 19.4 19.9 Ice-2
74 (JSmol) -74.3 -64.4 15.0 20.2 Ice-3
75 (JSmol) -74.8 -64.5 18.1 23.1 Ice-5
76 (JSmol) -76.7 -64.6 27.2 22.8 Ice-6
77 (JSmol) -79.1 -64.5 41.8 37.7 Ice-7
78 (JSmol) -78.3 -64.8 11.8 11.0 Ice-8
79 (JSmol) -69.7 -78.3 -64.6 13.4 15.6 ice-Ih
80 (JSmol) -115.9 -101.1 -100.9 12.8 16.6 Lithium hydroxide (LiOH) (ICSD 27543)
81 (JSmol) -143.1 -154.9 -139.7 7.4 6.3 Lithium oxide (Li2O) (ICSD 173180)
82 (JSmol) -149.4 -257.3 3.2 6.0 Beryllium oxide (BeO) (ICSD 391224)
83 (JSmol) -26.6 -19.9 17.1 30.4 XII Acrolein
84 (JSmol) 20.1 20.0 10.7 9.1 I (XULDUD01)
85 (JSmol) -90.3 -83.3 4.7 22.7 Dodecanoic acid (LAURAC05)
86 (JSmol) -39.1 -26.7 10.2 17.0 Acetophenone (ACETPH)
87 (JSmol) 16.0 24.0 7.6 9.3 1,3-bis(2-Furyl)azulene (GUDKAS)
88 (JSmol) -76.3 -73.7 -66.3 8.7 10.1 Camphor (UGAHUF)
89 (JSmol) -161.3 -156.0 -139.5 6.8 8.9 Cholesterol (CHOEST20)
90 (JSmol) -39.7 -43.6 -33.7 4.6 12.2 2-Pyridone (PYRIDO04)
91 (JSmol) -51.7 -36.5 1.9 2.5 m-Aminophenol (MAMPOL02)
92 (JSmol) -46.8 -38.2 10.5 28.4 o-Aminophenol (AMPHOM02)
93 (JSmol) -54.5 -40.7 16.5 26.0 p-Aminophenol (AMPHOL01)
94 (JSmol) -78.7 -82.7 -75.7 8.2 19.5 Caprolactam (CAPLAC)
95 (JSmol) -42.0 -41.6 -27.5 14.1 16.0 NN-Dimethylbenzamide (ODOTOQ)
96 (JSmol) -81.1 -65.9 0.0 5.0 Urea (UREAXX13)
97 (JSmol) -79.5 -79.9 -65.8 22.8 27.0 N-Methylurea (MEUREA)
98 (JSmol) -74.6 -73.0 -62.0 7.7 16.1 (Z Z)-N N'-Dimethylurea (NIJHUJ)
99 (JSmol) -75.3 -78.2 -62.6 18.1 19.3 NN-Dimethylurea (WIFKEB)
100 (JSmol) -66.5 -56.4 21.3 36.3 Tetramethylurea (TIDBIR)
101 (JSmol) 27.4 37.8 11.9 12.5 XVI 2-Diazo-3,5-cyclohexadiene-1-one
102 (JSmol) -41.0 -21.9 9.4 10.1 Isonicotinamide (EHOWIH)
103 (JSmol) -32.2 -42.5 -22.4 11.0 11.9 Nicotinamide (NICOAM01)
104 (JSmol) -44.4 -31.8 14.2 15.2 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane (RIZVOL)
105 (JSmol) -8.6 13.3 12.1 16.6 Carbamazepine (CBMZPN01)
106 (JSmol) -39.3 -22.8 10.8 14.0 8-Azaguanine hydrate (AZGUAN)
107 (JSmol) -88.3 -39.4 13.4 16.2 Aqua-tris(2-((dimethylamino)methyl)phenyl)borane (QEVYEV)
108 (JSmol) 7.5 29.2 11.3 20.0 4-(2,6-Dimethyl-4-N,N-diethylaminophenylimino)-3-methyl-1-phenyl-2-pyrazolin-5-one (MEPMPZ10)
109 (JSmol) -44.0 -37.3 -9.8 12.6 15.4 Guanine
110 (JSmol) -23.1 1.9 12.3 12.8 9-(2-Hydroxyethyl)adenine (FABFUJ)
111 (JSmol) -0.9 22.2 10.0 15.2 8-Azaguanine (AZGUAN01)
112 (JSmol) 0.0 1.8 2.8 36.6 56.0 Oxygen (O2) (ICSD 18311)
113 (JSmol) -170.0 -163.7 18.2 20.4 Lithium hydroxide hydrate (LiOH (H2O))
114 (JSmol) -216.5 -228.4 -309.5 26.8 27.4 Beryllium hydroxide (Be(OH)2) (ICSD 50445)
115 (JSmol) -216.5 -225.3 -184.6 28.8 23.1 Clinobehoite (Be(OH)2)
116 (JSmol) -191.9 -198.2 -188.5 6.1 4.8 Metaboric acid (cubic) (HBO2) (ICSD 280304)
117 (JSmol) -191.9 -189.4 -182.4 10.1 15.4 Metaboric acid (HBO2) (ICSD 280303)
118 (JSmol) -246.7 -278.0 -259.2 5.2 10.7 Lithium metaborate (LiBO2) (ICSD 34256)
119 (JSmol) -89.0 -86.7 3.0 9.3 Carbon dioxide (CO2) (ICSD 16428)
120 (JSmol) -104.5 -95.0 19.0 38.0 Octahydroxycyclobutane (HOCBUT)
121 (JSmol) -111.2 -106.5 24.1 28.0 Acetylacetone (LIWPIQ01)
122 (JSmol) -88.6 -93.8 -79.1 7.6 7.1 alpha Resorcinol
123 (JSmol) -88.6 -96.0 -80.0 8.6 24.0 beta Resorcinol
124 (JSmol) -88.6 -94.4 -79.2 12.8 12.7 Resorcinol (RESORA03)
125 (JSmol) -92.0 -88.9 -74.6 13.3 17.9 Benzoic acid (BENZAC02)
126 (JSmol) -99.6 -100.7 -85.7 15.3 20.1 2-Methylbenzoic acid (OTOLIC02)
127 (JSmol) -70.3 -59.9 9.6 14.5 o-Dimethoxybenzene (TUKGEL)
128 (JSmol) -77.8 -79.8 -63.1 13.3 19.4 Cinnamic acid (CINMAC06)
129 (JSmol) -63.5 -45.3 11.8 20.8 Phenylmalondialdehyde (PROLON)
130 (JSmol) -66.2 -52.8 11.7 11.9 Phenolphthalein (NIMDAO)
131 (JSmol) -80.6 -55.9 14.7 11.9 4,4'-Biphenol (DOHDPH02)
132 (JSmol) -207.5 -188.1 5.2 6.5 Cholesteryl acetate (CHOLAD04)
133 (JSmol) -126.3 -133.6 -122.9 11.9 16.2 alpha Glycine
134 (JSmol) -126.3 -133.5 -121.8 8.3 10.5 beta Glycine
135 (JSmol) -126.3 -130.9 -120.8 6.9 7.9 gamma Glycine
136 (JSmol) -130.8 -139.2 -131.6 16.7 22.7 beta-Alanine (BALNIN01)
137 (JSmol) -134.0 -138.9 -132.0 4.3 10.0 L-Alanine
138 (JSmol) -145.3 -133.4 19.7 21.1 Lysine acetate (CETSOJ)
139 (JSmol) -73.9 -63.9 14.9 40.0 XIX 1,8-Naphthyridinium fumarate
140 (JSmol) -155.4 -145.2 13.8 27.1 epsilon-Amino-n-caproic acid (AMCAPR10)
141 (JSmol) -152.3 -154.8 -142.7 20.6 23.5 Leucine (LEUCIN02)
142 (JSmol) -98.0 -98.6 -82.4 7.1 8.5 4-Aminobenzoic acid (AMBNAC04)
143 (JSmol) -95.9 -101.8 -86.0 5.3 17.4 o-Amino benzoic acid (AMBACO07)
144 (JSmol) -45.0 -27.0 12.5 22.1 Salicylaldoxime (SALOXM)
145 (JSmol) -127.3 -105.0 23.1 19.6 Ammonium benzoate (YABFEO)
146 (JSmol) -115.4 -99.0 10.3 13.0 4-Aminophenylacetic acid (FONGUL)
147 (JSmol) -127.6 -120.1 15.0 20.2 IV (BOQQUT01)
148 (JSmol) -0.3 -2.2 11.0 21.4 1,3,5-Trinitro-1,3,5-triazacyclohexane (CTMTNA03)
149 (JSmol) -107.0 -96.0 13.1 19.9 VIII Hydantoin (PAHYON01)
150 (JSmol) -101.4 -107.1 -95.2 12.1 14.3 Uracil (URACIL)
151 (JSmol) -110.6 -116.5 -100.8 16.8 23.1 Thymine (THYMIN01)
152 (JSmol) -10.9 -17.6 -4.3 11.9 18.1 4-Nitroaniline (NANILI22)
153 (JSmol) -16.7 -7.0 11.8 15.5 N N-2 6-Tetramethyl-4-nitroaniline (FOCVOI)
154 (JSmol) -82.8 -71.0 14.5 17.4 4,5-bis(Dimethylamino)-1,8-dihydroxynaphthalene (RISBIE)
155 (JSmol) -98.7 -49.9 11.2 13.1 Hydroquinone bis(aniline) (HIBFUT)
156 (JSmol) -132.5 -103.2 5.1 13.0 Cytosine (CYTOSM03)
157 (JSmol) -101.5 -67.9 14.2 16.8 XV 2-amino-4-methylpyrimidine and 2-methylbenzoic acid
158 (JSmol) -47.8 -8.0 13.1 12.8 Carbamazepine isonicotinamide (LOFKIB01)
159 (JSmol) -261.5 -252.5 -238.4 5.5 16.3 Orthoboric acid
160 (JSmol) -304.4 -312.0 -291.9 23.3 30.2 Boron oxide (B2O3) (ICSD 16021)
161 (JSmol) -290.6 -293.8 -274.9 1.6 18.2 Zabuyelite Li2CO3
162 (JSmol) -161.6 -169.0 -157.7 15.5 21.9 Lactic Acid (YILLAG)
163 (JSmol) -173.5 -160.1 13.3 20.5 Glycerol (GLCROL)
164 (JSmol) -112.4 -98.8 -94.9 11.7 19.6 Maleic anhydride (MLEICA01)
165 (JSmol) -139.7 -150.7 -131.0 15.1 13.1 Phloroglucinol (PHGLOL)
166 (JSmol) -141.1 -140.6 -123.2 13.0 15.9 m-hydroxybenzoic acid (BIDLOP)
167 (JSmol) -141.1 -141.4 -123.0 14.6 13.4 m-Hydroxybenzoic acid (BIDLOP01)
168 (JSmol) -142.7 -126.0 12.5 17.8 p-Hydroxybenzoic acid (JOZZIH)
169 (JSmol) -109.4 -91.2 13.2 22.2 Benzoylacrylic crystal structure
170 (JSmol) -133.5 -126.8 14.3 19.6 3-Hydroxy-10,10-dimethyl-11-oxatricyclododeca-4,6-dien-8-one (LIGHIV)
171 (JSmol) -151.1 -131.0 15.4 25.5 4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid
172 (JSmol) -115.5 -114.4 -109.7 5.8 20.1 Lithium nitrate (LiNO3) (ICSD 67981)
173 (JSmol) -203.0 -215.0 -193.4 18.2 21.1 NH4HCO3
174 (JSmol) -185.8 -183.4 6.9 12.7 N-Acetyl-L-leucine -NH-COH- (ACLLEU)
175 (JSmol) -169.2 -169.7 13.6 21.3 N-Acetyl-L-leucine -NH2-CO- (ACLLEU)
176 (JSmol) -163.9 -172.2 -150.9 19.3 19.3 Tyrosine (LTYROS10)
177 (JSmol) -178.3 -157.7 17.7 19.5 Tetramethylammonium benzoate monohydrate (ISIHIB)
178 (JSmol) -87.4 -103.5 -88.9 11.8 19.9 Ammonium nitrate (NH4NO3)
179 (JSmol) -56.6 -39.6 12.9 14.2 3-Nitrobenzamide (JACYOB)
180 (JSmol) -146.1 -126.5 20.6 25.5 m-Cresol N,N,N',N'-tetraisopropyloxamide (DUGRIG)
181 (JSmol) -168.2 -166.9 -147.8 4.8 13.4 Cyanuric acid (CYURAC12)
182 (JSmol) -21.1 -1.6 10.3 14.6 s-Trinitrobenzene-s-triaminobenzene (NIBZAM)
183 (JSmol) -157.3 -138.0 11.9 14.2 5-Formato uracil (POWBAF)
184 (JSmol) -116.6 -101.6 12.8 15.3 2-(2-(3-Carboxypyridyl))-4-isopropyl-4-methyl-5-oxo-imidazole (JAZCOC01)
185 (JSmol) -147.9 -144.6 -127.2 9.8 15.3 Uric acid (URICAC)
186 (JSmol) -194.2 -130.9 6.2 10.3 Cyanuric acid-Melamine (QACSUI)
187 (JSmol) -198.1 -194.7 -175.8 17.7 16.5 Oxalic acid (OXALAC06)
188 (JSmol) -314.7 -293.2 13.2 21.1 Lithium acetate (Li(CH3COO) 2(H2O))
189 (JSmol) -214.2 -203.5 12.1 33.0 Malonic acid (MALNAC02)
190 (JSmol) -193.6 -192.5 -176.7 7.7 10.5 Fumaric acid (FUMAAC)
191 (JSmol) -189.0 -183.3 -171.6 11.1 16.1 Maleic acid (MALIAC13)
192 (JSmol) -225.0 -211.7 11.4 21.2 Succinic acid (SUCACB11)
193 (JSmol) -186.9 -186.0 -164.7 9.1 15.2 Phthalic acid (PHTHAC01)
194 (JSmol) -190.7 -169.5 15.4 27.8 Terephthalic acid (TEPHTH13)
195 (JSmol) -182.1 -165.3 13.1 18.2 Aspirin(I) ACSALA01
196 (JSmol) -182.5 -165.0 14.2 19.6 Aspirin(II) (ACSALA13)
197 (JSmol) -82.8 -73.6 12.2 18.2 6-(Pyran-4-one-2-yl)-1,4-dioxocine (CUWWEW)
198 (JSmol) -119.0 -98.7 12.2 20.0 1 4-Dimethoxyanthracene-9 10-dione (VICZAJ)
199 (JSmol) -119.6 -100.2 11.2 13.1 1 8-Bis(methoxy)anthraquinone (APUREI01)
200 (JSmol) -156.4 -123.8 15.4 18.0 Molecular anvil (RATPEH)
201 (JSmol) -194.4 -142.8 11.4 17.5 III (QAMTAZ)
202 (JSmol) -123.6 -113.0 12.6 18.1 Oxonium nitrate (H3O NO3) (ICSD 1900)
203 (JSmol) -232.6 -237.6 -224.1 11.3 18.8 Aspartic acid (LASPRT)
204 (JSmol) -178.2 -158.9 11.5 10.8 Dinicotinic acid (DINICA10)
205 (JSmol) -216.3 -181.8 8.7 13.4 Ammonium hydrogen benzoate (AMHBZO)
206 (JSmol) -181.5 -165.0 12.5 18.3 4-(Dimethylamino)pyridinium hydrogen maleate (GUKVUE)
207 (JSmol) -231.2 -225.8 15.3 24.4 1-diazonia-4-azabicyclo[2.2.2]octane glutarate (UNEFIC)
208 (JSmol) -186.8 -148.8 9.8 12.1 4-Hydroxybenzoic acid isonicotinamide (VAKTOR)
209 (JSmol) -182.9 -145.6 10.6 12.1 Isonicotinamide 3-hydroxybenzoic acid (LUNMEM)
210 (JSmol) -153.4 -124.8 10.8 23.9 bis(Pyridine) fumaric acid (GUKWOZ)
211 (JSmol) -175.2 -150.3 15.2 22.3 4-(Dimethylamino)pyridinium hydrogen phthalate (GUKVOY)
212 (JSmol) -254.4 -245.5 19.1 36.0 1,4-diazabicyclo[2.2.2]octane azelaic acid (UNEGEZ)
213 (JSmol) -262.2 -231.2 18.6 19.4 Resorcinol bis(caprolactam) (QQQGHM01)
214 (JSmol) -253.5 -207.7 14.3 16.6 4,4'-Biphenol bis(caprolactam) (KEWZUI)
215 (JSmol) -134.9 -114.6 4.6 12.2 Urea nitrate (UREANT02)
216 (JSmol) -235.6 -217.3 6.7 11.4 L-Histidinium acetate (POPGIK)
217 (JSmol) -123.0 -86.6 12.1 13.0 4-Aminobenzoic acid 4-nitroaniline (RILJEB)
218 (JSmol) -105.1 -92.9 14.3 16.9 Creatininium nitrate (FETNUO)
219 (JSmol) -210.3 -189.7 12.5 16.6 Uric acid monohydrate (GEJQAO)
220 (JSmol) -172.4 -155.0 10.6 14.6 bis(Caffeine) oxalic acid (GANXUP)
221 (JSmol) -173.7 -139.1 13.1 17.6 bis(4-(Dimethylamino)pyridinium) terephthalate (GUKWAL)
222 (JSmol) -152.1 -133.0 10.6 10.6 Adenosine (ADENOS11)
223 (JSmol) 9.8 44.0 8.7 11.2 m-Diaminobenzene (REDDEJ)
224 (JSmol) -245.7 -250.0 -230.0 16.9 16.1 alpha-Ketoglutaric acid (COTPAC)
225 (JSmol) -243.1 -232.0 6.6 11.4 Cellulose 1 alpha (ja037055wsi20030711 112804)
226 (JSmol) -236.0 -230.0 14.9 10.5 Cellulose 1 beta (ja0257319 s1)
227 (JSmol) -239.6 -242.4 10.4 16.9 alpha-Chitin (SUSGIW)
228 (JSmol) -240.7 -239.9 19.1 24.3 Alpha-Chitin
229 (JSmol) -139.7 -106.3 12.4 19.1 Cinnamic acid 3-nitrobenzamide (OPUSOI)
230 (JSmol) -192.4 -151.1 11.7 13.7 Aspirin carbamazepine (TAZRAO)
231 (JSmol) -70.4 -55.1 12.8 12.1 X (HAMTIZ01)
232 (JSmol) -347.7 -318.2 16.3 46.7 Oxalic acid dihydrate (OXACDH26)
233 (JSmol) -317.0 -298.4 20.6 29.3 alpha-Lactose monohydrate (LACTOS10)
234 (JSmol) -302.5 -316.9 -301.9 24.9 31.6 beta-D-Fructose (FRUCTO11)
235 (JSmol) -312.6 -296.5 18.4 39.1 beta-D-Galactose (BDGLOS01)
236 (JSmol) -303.8 -319.2 -300.7 10.1 21.5 Glucose (GLUCSA)
237 (JSmol) -304.1 -276.9 13.2 13.7 XXI form 3 Gallic acid monohydrate
238 (JSmol) -313.6 -277.0 22.0 21.4 XXI form 4 Gallic acid monohydrate
239 (JSmol) -227.9 -192.8 -183.9 5.4 11.4 Pyromellitic dianhydride (PYMDAN)
240 (JSmol) -175.6 -151.4 5.3 11.3 Naphthalene pyromellitic dianhydride (NAPYMA12)
241 (JSmol) -549.4 -483.7 99.0 23.4 1,2,3-tris(trans-9-Octadecenoyl)glycerol (WISRAR)
242 (JSmol) -279.8 -249.7 20.6 31.4 Nitric acid trihydrate (HNO3 (H2O)3) (ICSD 1902)
243 (JSmol) -106.2 -92.5 13.2 27.9 3,5-Dinitro-4-methylbenzoic acid (NOMBEA01)
244 (JSmol) -15.1 -12.7 -5.7 9.3 28.0 Trinitrotoluene (ZZZMUC01)
245 (JSmol) -383.0 -352.0 20.2 18.2 Lysine aspartate (LYSASP)
246 (JSmol) -403.3 -382.7 9.6 13.5 L-Lysine D-glutamate (JAVSII)
247 (JSmol) -96.9 -78.7 13.5 15.9 Bis(3,5-Dinitro-4-methylbenzoic acid) 1,2-bis(4-pyridyl)ethane (LAPTUS)
248 (JSmol) -371.4 -313.8 4.9 9.7 bis(Urea) oxalic acid (UROXAL01)
249 (JSmol) -397.7 -347.0 13.8 21.0 Succinic acid bis(urea) (VEJXAJ)
250 (JSmol) -288.7 -252.0 12.1 20.0 Malonic acid bis(isonicotinamide) (ULAWEJ)
251 (JSmol) -229.0 -124.1 16.6 15.1 tris(4,4'-Biphenol) bis(2-aminopyridine) (KEXBAR)
252 (JSmol) 18.9 -0.5 -6.1 5.3 15.6 Cyclotrimethylene-trinitramine (RDX)
253 (JSmol) -305.2 -254.6 4.5 6.9 Caffeine monohydrate (CAFINE01)
254 (JSmol) -402.1 -360.6 18.7 27.4 Dodecahydroxycyclohexane dihydrate (SANTEH)
255 (JSmol) -369.0 -371.0 -348.7 11.7 21.4 Citric acid (CITRAC10)
256 (JSmol) -359.0 -291.8 13.1 13.3 2-(4-pyridyl)malondialdehyde sesquihydrate (GIDLIP)
257 (JSmol) -52.1 -56.3 -43.7 9.5 8.6 Picric acid (PICRAC)
258 (JSmol) -489.6 -438.7 19.0 20.0 L-Lysyl-L-glutamic acid dihydrate (VEVGOS)
259 (JSmol) -434.5 -391.8 17.9 20.8 L-Histidinium L-aspartate monohydrate (LHLASP01)
260 (JSmol) -340.8 -299.1 15.6 18.1 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane a-ketoglutaric acid (RIZWUS)
261 (JSmol) -365.7 -326.7 14.0 20.5 Bis(Pyridinium) oxalate oxalic acid (DEFCUM)
262 (JSmol) -408.1 -353.2 14.2 14.5 3-Carboxyphenylammonium hydrogen 2,3-pyrazinedicarboxylate dihydrate (ZIKREQ)
263 (JSmol) -375.6 -332.5 14.0 18.7 bis(4-(Dimethylamino)pyridinium) fumarate fumaric acid (GUKWIT)
264 (JSmol) 9.8 5.7 16.7 7.0 22.7 2,4,6-Trinitro-N-methyl-N-nitroaniline (Tetryl) (MTNANL)
265 (JSmol) -458.4 -415.2 18.3 21.6 L-histidinium L-histidine hydrogen glutarate (ADAVUW)
266 (JSmol) -359.5 -354.3 8.4 16.0 Ammonium nitrate 18-crown-6 (QOBJAS)
267 (JSmol) -95.7 -107.4 14.9 15.0 Glycerol trinitrate (CORYIR)
268 (JSmol) -617.9 -535.2 12.9 10.9 Tetra-aqua-beryllium 4-oxo-4H-pyran-2,6-dicarboxylate (CICXOC)
269 (JSmol) -560.7 -530.5 19.2 21.1 beta-Cellobiose (CELLOB04)
270 (JSmol) -530.9 -557.1 -535.8 18.2 20.2 Sucrose (SUCROS01)
271 (JSmol) -480.0 -478.0 11.8 14.5 Aconitine (ACONTO10)
272 (JSmol) -640.0 -598.0 10.0 14.4 beta-Maltose monohydrate (MALTOS11)
273 (JSmol) -562.0 -506.7 13.1 15.2 Dipyridinium bis(hydrogen-oxalate) oxalic acid (DUVLUB)
274 (JSmol) -651.1 -668.6 95.1 10.4 Valinomycin (CACYEK10)
275 (JSmol) -1114.7 -1012.4 7.0 17.5 Basic beryllium acetate (Be4O(OOCCH3)6) (BEOACT)
276 (JSmol) -537.2 -507.8 33.2 15.6 Rutin (KESFOD)
277 (JSmol) -1136.8 -1098.0 12.5 14.3 Tennis ball (ZIWSON)
281 (JSmol) -136.6 -123.2 18.6 14.4 p-Fluorobenzoic acid (PFBZAD01)
287 (JSmol) -167.3 -149.9 13.0 20.7 (S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (SOCLIF)
300 (JSmol) -101.8 -91.1 -69.2 17.5 80.0 Sodium hydroxide (NaOH)
301 (JSmol) -233.5 -232.5 -245.2 5.3 48.1 Sodium metaborate (NaBO2) (ICSD 34645)
302 (JSmol) -111.8 -99.9 -159.6 14.2 36.9 Nitratine (NaNO3)
303 (JSmol) -278.5 -288.9 11.2 18.0 Sodium hydrogen acetate
304 (JSmol) -375.5 -363.1 19.2 77.5 Sodium Acetate Trihydrate (NAACET06)
305 (JSmol) -320.6 -337.3 9.1 20.4 (15-Crown-5)-(nitrato-O,O')-sodium (JAKCUT)
306 (JSmol) -670.1 -659.4 18.2 32.3 Sodium (nitrilotripropionato)-beryllium(ii) trihydrate (YOMHAJ)
310 (JSmol) -99.0 -103.4 -56.8 4.5 49.7 Sodium oxide (Na2O) (ICSD 1102678)
311 (JSmol) -264.2 -302.7 16.0 39.9 Natrite (Na2CO3)
312 (JSmol) -323.2 -329.8 17.7 47.5 Thermonatrite (Na2CO3(H2O))
313 (JSmol) -301.3 -373.6 14.2 47.1 Natroxalate (Na2(C2O4))
314 (JSmol) -786.6 -790.7 -825.9 8.9 31.1 Sodium tetraborate (Na2B4O7) (ICSD 2040)
315 (JSmol) -451.7 -518.9 15.0 51.1 Warfarin (EFIWIZ01)
316 (JSmol) -1035.5 -702.5 20.7 60.5 Kernite (Na2B4O7 4(H2O))
317 (JSmol) -1480.5 -1379.9 16.1 69.9 Borax (Na2B4O7 10(H2O))
318 (JSmol) -610.5 -707.7 15.0 94.4 Trona (NaHCO3) (Na2CO3) 2(H2O)
323 (JSmol) -143.7 -147.1 -99.2 30.2 10.3 Periclase (MgO)
324 (JSmol) -221.0 -237.9 -177.3 47.6 18.5 Brucite (Mg(OH)2)
325 (JSmol) -265.7 -266.2 -224.8 10.3 5.0 Magnesite (MgCO3)
326 (JSmol) -304.2 -290.1 20.5 28.9 Diethyl-magnesium 18-crown-6 clathrate (GIMNIZ)
327 (JSmol) -189.0 -155.7 -151.9 21.1 22.2 Magnesium nitrate (Mg(NO3)2) (ICSD 381463)
328 (JSmol) -629.5 -556.4 25.3 30.2 Lansfordite (MgCO3 5(H2O))
329 (JSmol) -927.9 -861.4 22.1 21.3 Hexa-aqua-magnesium dihydrogen ethylenediaminetetra-acetate (AQMEDA)
331 (JSmol) -1263.5 -1234.1 14.4 22.4 tris(Hexafluoroacetylacetonato) magnesium 1-dimethylammonium-8-dimethylamino-naphthalene (NAFAMG10)
333 (JSmol) -1538.6 -1343.2 22.3 14.4 Hydromagnesite (Mg5(CO3)4(OH)2 4(H2O))
337 (JSmol) -66.6 -54.3 33.7 16.5 ((N-Methyl-N-(nitroso-O')-hydroxylamido-O)-dimethyl-aluminium-O')-trimethyl-aluminium (ALMEAL)
338 (JSmol) -235.3 -205.2 20.9 18.0 Diaspore (AlO(OH))
339 (JSmol) -284.1 -304.5 -255.1 34.9 10.8 Lithium aluminum oxide (LiAlO2) (ICSD 1400353)
340 (JSmol) -310.1 -257.8 19.6 12.8 Bayerite (Al(OH)3)
341 (JSmol) -307.5 -256.4 26.3 24.9 Gibbsite (Al(OH)3)
342 (JSmol) -110.1 -109.2 11.3 16.8 fac-tris(8-Hydroxyquinoline)-aluminium(iii) (WUFVAU01)
343 (JSmol) -110.8 -107.0 14.2 14.4 mer-tris(8-Hydroxyquinoline)-aluminium(iii) (QATMON)
344 (JSmol) -663.0 -666.7 16.4 20.7 Ammonium aluminum EDTA dihydrate (WUCFIJ)
347 (JSmol) -306.0 -292.9 16.7 28.3 Sodium aluminate (NaAlO2)
348 (JSmol) -445.4 -458.4 16.4 22.9 Dawsonite ((Na2O)(Al2O3)(CO2)2(H2O)2)
350 (JSmol) -400.7 -391.5 -367.6 25.8 4.8 Corundum (Al2O3)
351 (JSmol) -549.9 -569.0 -490.6 35.5 22.4 Chrysoberyl ((BeO)(Al2O3))
352 (JSmol) -1944.3 -1667.7 6.6 10.2 Mellite
353 (JSmol) -549.5 -566.1 -493.8 10.9 4.9 Spinel (MgAl2O4)
355 (JSmol) -1344.0 -1383.8 -1327.1 32.8 6.3 Beryllium hexaaluminate (BeAl6O10) (ICSD 95408)
360 (JSmol) -215.7 -193.2 13.5 24.3 Alpha Crystobalite (SiO2)
361 (JSmol) -217.7 -215.7 -189.4 6.6 20.7 Alpha quartz (SiO2)
362 (JSmol) -216.0 -189.4 6.1 18.2 Beta quartz (SiO2)
363 (JSmol) -215.4 -193.2 5.6 23.9 Beta Tridymite (SiO2)
364 (JSmol) -208.9 -190.7 15.9 9.9 Chabazite (SiO2)
365 (JSmol) -213.5 -187.2 4.4 17.0 Coesite (SiO2)
366 (JSmol) -182.4 -160.8 7.7 22.2 Stishovite (SiO2)
367 (JSmol) -394.2 -406.6 -341.7 14.8 38.1 Lithium silicate (Li2SiO3) (ICSD 853)
368 (JSmol) -506.0 -514.6 -340.3 6.4 23.2 Phenakite (Be2SiO4)
369 (JSmol) -935.1 -897.2 13.4 18.3 18-Crown-6 trans-tetrafluoro-diaqua-silicon dihydrate (YORRIG01)
371 (JSmol) -357.1 -378.9 24.8 44.3 Disodium silicate (Na2SiO3) (ICSD 74640)
372 (JSmol) -871.2 -844.6 13.2 37.7 Chesnokovite (Na2[SiO2(OH)2] 8(H2O))
374 (JSmol) -370.2 -368.2 -324.2 13.9 13.3 Enstatite (MgSiO3)
375 (JSmol) -370.2 -376.2 -328.3 11.8 10.8 Perovskite (MgSiO3)
376 (JSmol) -519.6 -536.2 -452.9 17.5 4.7 Forsterite (Mg2SiO4)
377 (JSmol) -604.2 -555.5 19.0 18.1 Euclase ((BeO)2(Al2O3)(SiO2)2(H2O))
378 (JSmol) -619.5 -612.7 -684.2 20.5 43.1 Andalusite (Al2SiO5)
379 (JSmol) -620.1 -608.5 -707.7 23.3 37.2 Kyanite (Al2SiO5)
380 (JSmol) -583.7 -626.2 -707.7 16.8 48.7 Sillimanite (Al2SiO5)
381 (JSmol) -729.3 -845.8 11.7 43.6 Topaz (Al2SiO4F2)
382 (JSmol) -105.8 -98.7 36.3 81.7 Disilyl ether ((SiH3)2O)
383 (JSmol) -612.1 -625.5 -532.8 20.2 34.1 Li2Si2O5
384 (JSmol) -1097.0 -790.8 6.1 20.5 Bertrandite ((BeO)4(SiO2)2(H2O)
385 (JSmol) -726.4 -702.7 23.8 65.1 Kanemite (Na2O)(SiO2)4(H2O)7
386 (JSmol) -990.1 -880.0 9.5 13.2 Lizardite (Mg3Si2O5 (OH)4)
387 (JSmol) -643.3 -650.2 11.6 31.4 Illite ((Al2O3)2 (SiO2)8 (H2O)2)
388 (JSmol) -649.3 -625.8 18.0 30.4 Pyrophyllite (AlSi2O5(OH))
389 (JSmol) -724.7 -713.2 13.4 58.7 Spodumene ((LiAl(SiO3)2)
390 (JSmol) -685.7 -775.9 15.1 28.6 Jadeite ((Na2O)(Al2O3)(SiO2)2)
391 (JSmol) -950.6 -905.7 12.7 28.5 Dickite ((Al2O3)(SiO2)2(H2O)2)
392 (JSmol) -950.3 -903.1 11.1 29.8 Kaolinite ((Al2O3)(SiO2)2(H2O)2)
393 (JSmol) -950.5 -903.9 12.4 24.5 Nacrite ((Al2O3)(SiO2)2(H2O)2)
394 (JSmol) -942.4 -963.5 15.4 20.0 Albite ((NaAl)(Si3O8)
395 (JSmol) -1592.0 -1471.3 5.2 6.0 Pyrope ((Al2O3)(MgO)3(SiO2)3)
396 (JSmol) -1702.7 -1629.2 20.2 50.6 Yegorovite (Na4[Si4O8(OH)4] 7(H2O))
397 (JSmol) -1340.0 -1219.1 8.4 16.9 Talc (MgO)3(SiO2)4(H2O)
398 (JSmol) -1335.1 -1839.6 8.2 21.9 Vermiculite (Mg3Si4O10(OH)2)
399 (JSmol) -1177.2 -1082.5 15.1 15.0 Petalite (LiAlSi4O10)
400 (JSmol) -2288.0 -2228.3 10.1 38.4 Cordierite (Mg2Al4Si5O18)
401 (JSmol) -2189.0 -1872.5 9.7 12.3 Beryl ((Al2O3)(BeO)3(SiO2)6)
402 (JSmol) -2226.9 -2027.6 7.6 20.4 Aquamarine ((NaOH)(Al2O3)(BeO)3(SiO2)6)
403 (JSmol) -1372.8 -1256.1 7.8 70.6 Si8H8O12 (ICSD 75244)
404 (JSmol) -2815.7 -2532.9 10.0 17.7 Cummingtonite ((MgO)7(SiO2)8(H2O))
405 (JSmol) -10420.2 -9769.3 9.3 12.7 Mordenite (AlNaO2)(SiO2)11)
410 (JSmol) -61.5 -84.3 13.8 19.0 Tetramethyl-tetra-aza-diphosphabicyclooctane-3,7-dione (BAMWUH)
411 (JSmol) -296.6 -262.4 25.6 34.5 catena-Lithium phosphate (LiPO3) (ICSD 1121553)
412 (JSmol) -307.0 -287.7 -272.7 14.4 34.8 Phosphoric acid (H3PO4)
413 (JSmol) -500.9 -472.3 -412.6 29.7 40.6 Lithiophosphate (Li3PO4)
414 (JSmol) -273.7 -309.7 23.4 21.8 Ammonium dihydrogenphosphate (NH4 H2PO4)
415 (JSmol) -374.5 -354.0 -333.7 21.1 25.6 Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
416 (JSmol) -371.7 -362.5 26.9 35.6 N(Me)4H2PO4 H2O (FIJHEL)
417 (JSmol) -415.7 -398.9 21.4 24.2 DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
418 (JSmol) -766.8 -601.6 39.9 17.2 H5Be2PO7 (ICSD 1710400)
419 (JSmol) -507.5 -493.3 2.4 13.9 Phosphatidylcholine (LYPCHL)
420 (JSmol) -520.5 -474.5 11.0 23.0 Adenosine-3'-phosphate dihydrate (ADPOSD)
424 (JSmol) -710.4 -702.8 22.8 20.1 (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
425 (JSmol) -735.6 -718.7 17.2 17.7 (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
426 (JSmol) -308.8 -330.3 35.4 30.7 Sodium phosphate (NaPO3) (ICSD 34693)
427 (JSmol) -353.1 -375.7 21.6 56.0 Sodium tetrametaphosphate (NaH2PO4)
428 (JSmol) -453.4 -481.3 51.5 34.3 Lithium disodium phosphate (LiNa2PO4) (ICSD 69967)
429 (JSmol) -640.4 -588.4 10.2 26.3 Stercorite (Na(NH4)HPO4 4(H2O))
431 (JSmol) -417.8 -405.6 -437.7 7.4 40.1 Sodium hydrogen phosphate (Na2HPO4) (ICSD 81304)
432 (JSmol) -417.8 -415.0 -437.2 33.6 44.0 Sodium Hydrogen Phosphate (Na2HPO4)
433 (JSmol) -536.5 -516.7 36.9 55.0 Dorfmanite (Na2HPO4 2(H2O))
434 (JSmol) -834.2 -812.0 8.4 76.7 Disodium hydrogen orthophosphate heptahydrate (H15Na2O11P)
435 (JSmol) -482.0 -500.8 16.0 45.4 Sodium phosphate (Na3PO4) (ICSD 33718)
436 (JSmol) -584.3 -528.5 12.5 15.3 Newberyite (MgHPO4 3(H2O))
437 (JSmol) -588.0 -483.6 24.5 11.9 Wagnerite (Mg2PO4F)
439 (JSmol) -414.4 -392.4 -502.4 14.2 71.0 Berlinite (AlPO4)
440 (JSmol) -414.4 -380.2 -398.7 8.3 26.6 Sodalite (AlPO4)
441 (JSmol) -526.1 -547.4 19.2 33.3 Variscite (AlPO4(H2O)2)
442 (JSmol) -592.7 -524.8 17.7 34.0 Magnesium aluminum phosphate oxide (beta'') (MgAlPO4 O) (ICSD 1102532)
443 (JSmol) -359.7 -391.5 -391.9 47.3 45.7 Phosphorus(v) pentoxide (P2O5) (ICSD 82688)
444 (JSmol) -636.0 -502.2 59.2 18.3 Beryllium catena-phosphate (BeP2O6) (ICSD 100404)
445 (JSmol) -650.3 -603.3 13.3 24.8 Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
446 (JSmol) -913.9 -856.4 6.5 10.1 tris(Hydroxymethyl)-methylammonium adenosine-5'-diphosphate dihydrate (HMADPH)
447 (JSmol) -1019.7 -947.8 14.9 17.0 Nicotinamide adenine dinucleotide tetrahydrate (CEVYEH11)
448 (JSmol) -798.7 -857.8 37.5 69.4 Sodium phosphate (Na4P2O7) (ICSD 10370)
449 (JSmol) -803.2 -701.0 27.4 40.3 Magnesium hypophosphite hydrate (Mg(H2PO2)2 6(H2O))
450 (JSmol) -1015.4 -860.0 19.9 22.4 tetrakis(Urea) bis(dihydrogen phosphate) magnesium (BORTAD)
451 (JSmol) -827.6 -857.0 16.4 29.8 catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
452 (JSmol) -895.1 -867.8 -683.8 27.2 14.9 Farringtonite (Mg3(PO4)2)
453 (JSmol) -1388.8 -1232.4 18.3 15.1 Bobierrite Mg3(PO4)2(H2O)8
454 (JSmol) -2406.4 -2174.7 27.9 29.8 Magnesium phosphate hydrate (Mg3(PO4)2 22(H2O))
455 (JSmol) -1771.6 -1419.6 16.4 12.8 Raadeite (Mg7(PO4)2(OH)8)
456 (JSmol) -1215.4 -1311.4 28.0 12.0 Brazilianite (NaAl3(PO4)2(OH)4)
459 (JSmol) -806.6 -1131.3 34.0 63.5 Sodium trimetaphosphate (Na2HP3O9)
460 (JSmol) -1096.6 -1146.0 15.4 28.4 Disodium adenosine-triphosphate trihydrate (ADENTP)
462 (JSmol) -461.7 -395.0 11.2 24.8 Phosphorus(iii) trioxide (P4O6) (ICSD 24407)
463 (JSmol) -719.4 -690.9 -665.9 18.4 11.4 Phosphorus(v) pentoxide (P4O10) (ICSD 40865)
464 (JSmol) -1448.7 -1358.6 18.1 28.9 Tetralithium Tetrametaphosphate Pentahydrate (Li4P4O12 5(H2O))
465 (JSmol) -1965.9 -1557.0 49.6 21.4 catena-(Hexane-1,6-diammonium bis(mu-4-phosphato)-bis(mu-3-hydrogen phosphato)-bis(hydroxy)-tetra-beryllium monohydrate) (ACOKUZ)
466 (JSmol) -1365.2 -1683.0 41.0 81.4 NaPO3 H2O
467 (JSmol) -1345.5 -1542.2 27.4 78.9 Sodium cyclooctaphosphate hexahydrate (Na8P8O24 6(H2O))
469 (JSmol) -1777.4 -1649.2 32.0 32.0 Mg5Na2P4O16
470 (JSmol) -1750.5 -1563.4 32.8 27.4 Hexa(lithium phosphate) (Li6(P6O18)) (ICSD 1414858)
471 (JSmol) -1743.9 -1563.5 28.7 28.9 Lithium cyclohexaphosphate (Li6(P6O18))
474 (JSmol) -0.1 9.4 9.2 21.3 II (GUFJOG)
475 (JSmol) -138.0 -137.6 -126.9 18.0 26.7 Methionine (LMETON02)
476 (JSmol) -66.8 -40.1 14.9 13.0 VI (UJIRIO01)
477 (JSmol) 41.0 56.4 9.2 18.0 ROY (QAXMEH)
478 (JSmol) 39.0 58.1 9.4 11.6 ROY (QAXMEH01)
479 (JSmol) 40.5 59.0 11.5 10.1 ROY (QAXMEH02)
480 (JSmol) 41.8 57.3 11.8 14.9 ROY (QAXMEH03)
481 (JSmol) 40.3 54.8 10.4 18.6 ROY (QAXMEH04)
482 (JSmol) 42.1 58.2 10.6 11.8 ROY (QAXMEH05)
483 (JSmol) 39.1 58.4 12.5 16.6 ROY (QAXMEH12)
484 (JSmol) -108.6 -127.1 -118.6 17.0 20.4 Sulfur trioxide (SO3) (ICSD 654094)
485 (JSmol) -184.3 -169.7 10.4 19.7 Taurine (TAURIN05)
486 (JSmol) -343.3 -350.0 -317.8 6.0 25.7 Lithium sulfate (Li2SO4) (ICSD 23723)
487 (JSmol) -287.0 -301.3 -403.3 5.5 16.5 Beryllium sulfate (BeSO4) (ICSD 44801)
488 (JSmol) -261.3 -238.8 15.7 21.9 Lithium naphthalene sulfonate
489 (JSmol) -282.2 -294.3 -394.1 16.3 23.2 Ammonium sulfate (2(NH4)SO4)
490 (JSmol) -282.2 -312.1 -252.0 22.0 19.7 Mascagnite ((NH4)2SO4)
491 (JSmol) -123.5 -101.1 10.3 16.2 Piroxicam (BIYSEH06)
492 (JSmol) -127.1 -87.6 11.6 25.2 5H-dibenz(b,f)azepine-5-carboxamide saccharin solvate (UNEZAO)
493 (JSmol) -282.4 -253.0 20.1 28.8 Sulfuric acid hydrate (H2SO4 (H2O)) (ICSD 1413417)
494 (JSmol) -410.7 -375.0 12.3 19.1 Lithium sulfate hydrate (Li2SO4 H2O) (ICSD 201531)
495 (JSmol) -240.3 -185.7 5.9 13.6 1-Dimethylamino-8-dimethylammonionaphthalene saccharin dihydrate (AJOHUC)
496 (JSmol) -511.0 -444.0 17.4 11.8 Sulfuric acid tetrahydrate (H2SO4 4(H2O)) (ICSD 2783)
497 (JSmol) -584.2 -617.1 16.9 11.0 Beryllium sulfate tetrahydrate (BeSO4 4(H2O)) (ICSD 23218)
498 (JSmol) -297.5 -266.8 5.4 6.6 Berberine sulfate (CISREB)
499 (JSmol) -431.2 -412.1 5.1 13.3 18-Crown-6 aminosulfuric acid clathrate (SOVJOC)
501 (JSmol) -281.4 -289.9 15.4 35.4 Sodium sulfite (Na2SO3) (ICSD 1400216)
502 (JSmol) -331.6 -331.6 -372.6 7.4 39.7 Thenardite (Na2SO4) (ICSD 2895)
504 (JSmol) -301.6 -289.4 -258.3 6.8 7.4 Magnesium sulfate (MgSO4) (ICSD 16759)
505 (JSmol) -744.5 -647.7 26.2 25.2 Hexahydrite (MgSO4 6(H2O))
506 (JSmol) -820.6 -714.3 21.5 24.0 Epsomite (MgSO4 (H2O)7)
507 (JSmol) -1303.9 -1176.7 24.8 21.0 Sulfoborite (Mg3SO4(B(OH)4)2(OH)F)
508 (JSmol) -1197.5 -1010.8 24.2 32.2 Aluminite (Al2SO6 9(H2O))
510 (JSmol) -464.5 -437.1 15.1 24.7 4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
512 (JSmol) 11.1 25.6 8.3 15.9 3,3'-Dithienyl ketone (DTHKET)
513 (JSmol) -18.3 0.2 8.6 6.8 Tetrathiafulvalenium 1 4 9 10-anthracenetetronide (YEVXIG)
514 (JSmol) -264.1 -249.6 -237.9 10.1 14.2 Cystine (LCYSTI10)
515 (JSmol) -125.2 -96.9 10.9 18.9 XX Benzyl-(4-(4-methyl-5-(p-tolylsulfonyl)-1,3-thiazol-2-yl)phenyl)carbamate
516 (JSmol) -560.6 -552.0 19.7 19.6 18-Crown-6 tetra-aqua-bis(isothiocyanato)-magnesium (FUYCAD)
517 (JSmol) -900.9 -830.1 19.3 20.4 tris(Hexaaqua-magnesium) benzenehexa(methylsulfonate) tris(1,4-dioxane) clathrate (UMANOL)
518 (JSmol) -1334.4 -1203.9 22.9 35.5 Sodium magnesium sulfate decahydrate
519 (JSmol) -1485.7 -1253.4 14.3 26.5 Ammonium aluminum sulfate ((NH4)Al(SO4)2 (12(H2O))
520 (JSmol) -1459.6 -1245.3 16.0 25.7 Sodium alum (NaAl(SO4)2 12(H2O))
523 (JSmol) -874.9 -815.8 6.4 14.1 Aluminum sulfate (Al2(SO4)3) (ICSD 73249)
526 (JSmol) -708.5 -587.6 11.4 13.6 tetrakis(Piroxicam) fumaric acid clathrate (DIKDIL)
527 (JSmol) -2426.7 -2110.4 4.3 10.0 Oxytocin 1XY10001
528 (JSmol) -1289.0 -1445.2 8.5 34.1 Vanthoffite (MgNa6 (SO4)4)
529 (JSmol) -2715.1 -2374.3 9.7 20.1 Pickeringite (MgAl2(SO4)4 22(H2O))
537 (JSmol) -167.9 -175.8 4.4 54.2 Hydrogen chloride dihydrate (ICSD 15353)
538 (JSmol) -132.1 -117.1 31.0 29.0 Monochloroacetic acid (CLACET02)
539 (JSmol) -105.5 -86.0 10.5 14.8 p-Chlorobenzoic acid (CLBZAP03)
540 (JSmol) -89.5 -81.0 12.4 8.7 N-Chlorosuccinimide (CSUCIM)
541 (JSmol) -162.4 -154.4 25.3 27.2 Acetylcholine (ACHOLC01)
542 (JSmol) -184.3 -165.1 4.5 10.1 N-Methylacetamide hemihydrochloride -NH-COH- (BOZGAY)
543 (JSmol) -162.9 -166.8 12.8 27.0 N-Methylacetamide hemihydrochloride -NH2-CO- (BOZGAY)
544 (JSmol) -143.6 -125.3 11.2 19.8 Tryptophan (TRYPTC)
545 (JSmol) -248.3 -209.8 6.2 8.4 Caprinolactam hemihydrochloride -NH-COH- (CAPINC)
546 (JSmol) -237.1 -210.5 8.1 21.3 Caprinolactam hemihydrochloride -NH2-CO- (CAPINC)
547 (JSmol) -82.9 -71.3 15.0 17.3 1 4 dioxocine 6-carboxylic acid chloride (CUWWIA)
548 (JSmol) -160.2 -138.2 9.4 9.7 beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH-COH- (DIDVER)
549 (JSmol) -149.7 -142.0 16.3 11.3 beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH2-CO- (DIDVER)
550 (JSmol) -91.0 -133.2 -112.1 16.4 46.1 Lithium perchlorate (LiClO4) (ICSD 413238)
551 (JSmol) -54.9 -62.9 14.1 7.1 Ammonium perchlorate (NH4ClO4) (ICSD 40382)
552 (JSmol) -362.1 -323.5 12.5 16.1 L-Lysine monohydrochloride dihydrate (LYSCLH)
553 (JSmol) -126.2 -111.3 25.2 53.1 Oxonium perchlorate (H3O(+) ClO4(-)) (ICSD 23866)
554 (JSmol) -468.5 -431.8 38.3 56.4 Hydrogen chloride hexahydrate (H9O4(+) Cl(-) 2(H2O)) (ICSD 2235)
555 (JSmol) -281.4 -244.6 20.6 34.8 Perchloric acid trihydrate (HClO4 (H2O)3) (ICSD 27248)
556 (JSmol) -356.3 -344.4 11.4 12.5 2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH-COH- (WEDDOZ)
557 (JSmol) -367.2 -368.2 16.3 9.0 2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH2-CO- (WEDDOZ)
558 (JSmol) -396.6 -375.6 13.8 22.0 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)
560 (JSmol) -134.5 -167.4 13.9 21.6 Sodium chlorate (NaClO3) (ICSD 1117)
561 (JSmol) -91.6 -101.4 -191.7 6.8 25.4 Sodium perchlorate (NaClO4) (ICSD 1409185)
562 (JSmol) -325.2 -319.6 14.2 26.3 (15-Crown-5)-(perchlorato-O,O')-sodium (KAPDUA)
563 (JSmol) -1699.3 -1539.6 9.6 2.8 Boracite (MgO)5(MgCl2)(B2O3)7
565 (JSmol) -1650.9 -1768.7 18.8 5.3 Sodalite ((Na2O)3(NaCl)2(Al2O3)3(SiO2)6)
566 (JSmol) -173.0 -167.2 29.1 27.9 Tetramethylphosphonium chloride monohydrate (MIYHEH)
567 (JSmol) -84.6 -69.2 11.2 15.4 XVIII (1-((4-Chlorophenyl)sulfonyl)-2-oxopropylidene)diazenium
568 (JSmol) -352.2 -284.8 18.9 22.7 Methylene blue (MAPAZT10)
574 (JSmol) -47.0 -28.3 23.6 16.1 Tetrachloro-p-benzoquinone (TCBENQ07)
575 (JSmol) -294.3 -266.8 17.7 15.5 Beryllium chloride diethyl ether solvate (ETBECL)
576 (JSmol) -438.5 -538.7 45.4 53.2 Beryllium dichloride tetrahydrate (BeCl2 4(H2O)) ICSD 417642)
577 (JSmol) -31.3 -1.5 15.0 14.7 XVII 1,2-Dichloro-4,5-dinitrobenzene
579 (JSmol) -597.3 -607.8 -556.6 36.5 39.2 Magnesium dichloride hexahydrate (MgCl2 6(H2O)) (ICSD 47161)
580 (JSmol) -560.8 -541.9 31.2 38.1 Hexa(ethanolato-O)-magnesium dichloride (JADJED)
581 (JSmol) -455.3 -427.9 15.8 18.6 Aqua-chloro-(15-crown-5)-magnesium chloride acetonitrile solvate (YAFYEJ)
585 (JSmol) -157.5 -133.0 21.1 18.7 Chloral hydrate (CHORLH01)
592 (JSmol) -553.9 -442.6 30.8 7.8 Tetrachlorophthalic acid hemihydrate (TCLPHA)
593 (JSmol) -717.8 -655.4 13.7 24.7 [H7O3(+)][CHB11Cl11(-)]
594 (JSmol) -706.8 -638.3 19.1 20.1 [H(CH3OH)3(+)][CHB11Cl11(-)]
595 (JSmol) -801.3 -722.3 19.5 20.8 [H9O4(+)][CHB11Cl11(-)]
602 (JSmol) -86.5 -84.8 40.4 60.1 Potassium deuteriooxide (KOH) (ICSD 65163)
603 (JSmol) -162.0 -146.7 32.2 89.3 Potassium hydroxide hydrate (KOH (H2O)) (ICSD 47114)
604 (JSmol) -160.2 -143.2 29.9 86.8 Potassium hydroxide hydrate (KOH H2O) (ICSD 1706151)
605 (JSmol) -234.6 -219.2 -251.3 13.4 10.7 Potassium metaborate KBO2) (ICSD 1000173)
606 (JSmol) -162.4 -145.6 -159.0 16.1 5.3 Potassium formate (POTFRM)
607 (JSmol) -88.4 -78.8 -126.7 22.3 41.6 Potassium nitrite (KNO2) (ICSD 1906878)
608 (JSmol) -88.4 -76.9 -126.4 71.9 72.1 Potassium nitrite (KNO2) (ICSD 36202)
609 (JSmol) -78.9 -127.1 20.7 44.9 Potassium nitrite (KNO2) (ICSD 86117)
610 (JSmol) -230.2 -211.5 -231.3 26.1 60.0 Kalicinite (KHCO3)
611 (JSmol) -135.5 -180.8 21.0 37.7 catena-((mu-8-Rhodizonato)-di-potassium) (ZZZHDA01)
612 (JSmol) -118.2 -98.9 -136.7 25.0 3.9 Niter (KNO3)
613 (JSmol) -282.1 -288.5 17.7 22.5 Potassium hydrogen acetate
614 (JSmol) -397.9 -329.0 22.5 69.3 Potassium hydroxide tetrahydrate (KOH 4(H2O)) (ICSD 36598)
617 (JSmol) -453.0 -447.1 21.2 11.4 Potassium aluminum carbonate hydroxide (KAlCO3 (2(OH))
618 (JSmol) -522.6 -493.4 13.7 17.2 Hydrated potassium dawsonite (KAl(CO3)(OH)2 H2O)
619 (JSmol) -863.8 -825.7 8.1 17.8 Orthoclase (KAlSi3O8)
620 (JSmol) -2104.1 -2274.9 24.1 18.3 Nepheline ((KNa3O2)(Al2O3)2(SiO2)4)
621 (JSmol) -294.3 -304.2 27.2 12.3 Potassium cyclo-hexaphosphate (KPO3)
622 (JSmol) -342.5 -344.9 13.6 29.4 KPO3 2(H2O)
623 (JSmol) -374.8 -347.3 -338.1 22.5 21.9 Potassium dihydrogenphosphate (KH2PO4) (ICSD 87895)
625 (JSmol) -777.8 -735.4 6.1 24.4 Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
626 (JSmol) -907.0 -977.4 50.3 22.4 Disodium potassium cyclo-triphosphate (Na2KP3O9) (ICSD 2346)
627 (JSmol) -885.7 -963.0 50.5 30.5 Sodium potassium trimetaphosphate (Na2KP3O9)
628 (JSmol) -277.4 -264.3 -278.1 17.9 21.7 Mercallite (KHSO4)
629 (JSmol) -644.0 -653.9 7.4 10.8 Nonactin-potassium thiocyanate (NONKCS)
630 (JSmol) -1456.5 -1250.5 20.4 43.4 Potassium alum (KAl(SO4)2 12(H2O))
631 (JSmol) -1267.5 -1126.7 20.5 8.6 Alunite (KAl3(SO4)2(OH)6)
633 (JSmol) -95.1 -119.9 -151.8 23.0 32.7 Potassium chlorate (KClO3) (ICSD 26409)
634 (JSmol) -102.8 -100.9 -128.5 4.7 46.1 Potassium perchlorate (KClO4) (ICSD 1137)
635 (JSmol) -3527.2 -4015.5 14.8 37.1 Hanksite (KCl)2(Na2O)22(SO3)18(CO2)4
636 (JSmol) -674.5 -619.8 37.2 37.9 Carnallite (KMg(H2O)6Cl3)
637 (JSmol) -86.4 -68.8 -128.0 11.8 17.4 Potassium oxide (K2O) (ICSD 44674)
638 (JSmol) -275.1 -244.4 -320.6 11.1 19.6 Potassium carbonate (hexagonal) (K2CO3) (ICSD 1816694)
639 (JSmol) -275.1 -245.8 -316.7 18.4 17.5 Potassium carbonate (K2CO3) (ICSD 10191)
640 (JSmol) -275.1 -246.4 -315.8 9.4 12.3 Potassium carbonate (K2CO3) (ICSD 1816695)
641 (JSmol) -321.7 -286.0 -357.6 16.7 4.1 Potassium oxalate (QQQAZJ05)
642 (JSmol) -382.0 -390.6 23.3 36.3 catena-((mu-8-Croconato)-di-aqua-di-potassium) (XEYYUV)
643 (JSmol) -370.0 -334.9 -385.4 23.6 16.4 Potassium silicate (K2SiO3) (ICSD 1321814)
645 (JSmol) -1000.9 -958.3 11.1 23.8 Wadelite (K2Si4O9)
647 (JSmol) -343.6 -309.1 -377.5 8.4 20.8 Arcanite (K2SO4)
648 (JSmol) -892.3 -824.9 15.1 37.1 Leonite (K2Mg(SO4)2 4(H2O))
650 (JSmol) -466.1 -447.6 -517.3 9.6 22.0 Potassium phosphate (K3PO4) (ICSD 158801)
651 (JSmol) -1257.5 -1304.6 14.8 27.2 Potassium beryllium bis(malonate) hemihydrate (MALBEK)
652 (JSmol) -1367.2 -1379.4 13.7 30.8 Tetrapotassium tetrametaphosphate tetrahydrate (K4H8P4O16)
655 (JSmol) -151.7 -124.0 -116.8 1.7 13.0 Lime (CaO)
656 (JSmol) -235.5 -215.8 -210.2 9.2 7.5 Portlandite (Ca(OH)2)
657 (JSmol) -288.7 -316.4 -269.2 28.6 21.4 Aragonite (CaCO3)
658 (JSmol) -288.6 -318.4 -271.7 33.4 9.0 Calcite (CaCO3) (ICSD 52151)
659 (JSmol) -320.3 -271.0 34.3 19.1 Vaterite (CaCO3)
660 (JSmol) -331.4 -354.5 -304.8 32.9 19.3 Calcium formate (CAFORM12)
661 (JSmol) -424.1 -355.9 34.3 18.2 Whewellite (Ca(Ox)(H2O)) (CALOXM03)
662 (JSmol) -490.8 -418.4 27.1 16.4 Weddellite (Ca(C2O4) 2(H2O))
663 (JSmol) -224.2 -234.8 -250.5 28.6 29.6 Calcium dinitrate (Ca(NO3)2) (ICSD 1500652)
664 (JSmol) -561.5 -483.3 28.0 17.1 Caoxite (Ca(C2O4) 3(H2O))
665 (JSmol) -831.7 -800.6 7.8 7.7 Colemanite (Ca2B6O11 5(H2O))
666 (JSmol) -505.2 -409.5 13.6 13.5 bis((mu-2-Aqua)-hexa-aqua-calcium 5,5'-azotetrazolate) dihydrate (MINBOA)
667 (JSmol) -726.9 -645.4 10.1 13.3 Ikaite ((CaO)(CO2)(H2O)6)
668 (JSmol) -527.1 -488.8 26.1 27.1 Nitrocalcite (Ca(NO3)2 4(H2O))
670 (JSmol) -1627.9 -1516.6 17.5 23.2 Ulexite ((Na2O)(CaO)2(B2O3)5(H2O)16)
671 (JSmol) -697.4 -695.5 13.8 23.0 Gaylussite CaNa2(CO3)2 5(H2O)
672 (JSmol) -556.0 -584.9 -511.8 21.5 10.8 Dolomite (CaMg(CO3)2)
673 (JSmol) -1106.9 -955.5 23.5 7.7 Huntite (CaMg3 (CO3)4)
674 (JSmol) -369.5 -394.2 -381.6 14.6 20.5 Wollastonite (CaSiO3)
675 (JSmol) -605.4 -552.8 15.0 18.7 Datolite (CaBSiO4(OH))
676 (JSmol) -600.5 -561.9 16.7 16.6 Calcium disilicate (CaSi2O5) (ICSD 87498)
677 (JSmol) -978.3 -875.7 8.6 28.5 Danburite ((CaO)(B2O3)(SiO2)2)
678 (JSmol) -771.5 -720.5 13.4 14.5 Diopside (MgCaSi2O6)
679 (JSmol) -1135.9 -1161.3 7.1 34.9 Lawsonite (CaAl2Si2O7(OH)2 (H2O))
680 (JSmol) -652.4 -535.4 21.5 12.3 Herderite (CaBe(PO4)F(OH))
681 (JSmol) -652.2 -535.4 21.6 13.8 Hydroxylherderite (CaBe(PO4)(OH))
682 (JSmol) -723.9 -654.9 20.9 22.3 Calcium bis(dihydrogenphospate) (CaH4P2O8)
684 (JSmol) -342.9 -340.3 -275.3 22.8 36.9 Anhydrite (CaSO4)
685 (JSmol) -497.6 -405.0 18.3 21.8 Gypsum (CaSO4 2H2O)
686 (JSmol) -1408.6 -1250.5 19.9 18.8 Woodhouseite CaAl3(PO4)(SO4)(OH)6
687 (JSmol) -687.0 -729.2 14.4 43.4 Glauberite (CaNaSO4)
688 (JSmol) -649.3 -571.0 23.7 14.3 Calcium acetate chloride pentahydrate (CALCLA)
690 (JSmol) -583.2 -516.7 26.7 24.1 bis(Dihydroxypropan-2-one)-diaqua-dichloro-bis(1,3-dihydroxypropan-2-one)-di-calcium dichloride (NADQEP)
691 (JSmol) -65.4 36.6 12.5 14.1 bis(tris(2-Pyridylmethyl)amine)-calcium diperchlorate (FESPOI)
693 (JSmol) -979.9 -842.7 15.0 8.3 Dicalcium naphthalenetetracarboxylate Pentahydrate (Ca2C14H14O13)
694 (JSmol) -551.5 -559.7 -550.4 20.9 12.0 Calcium silicate (Ca2SiO4) (ICSD 963)
695 (JSmol) -933.1 -907.8 17.8 17.3 Akermanite (Ca2MgSi2O7)
696 (JSmol) -1518.5 -1440.3 8.7 18.4 Prehnite (CaO)2(Al2O3)(SiO2)3(H2O)
697 (JSmol) -1693.0 -1695.1 27.0 10.2 Tanzanite ((CaO)4(Al2O3)3(SiO2)6(H2O))
698 (JSmol) -3011.3 -2995.1 11.8 47.4 Thomsonite (Na2O)(CaO)4(Al2O3)5(SiO2)10(H2O)12
699 (JSmol) -2877.6 -2675.4 11.0 20.1 Tremolite (CaO)2(MgO)5(SiO2)8(H2O)
700 (JSmol) -2919.3 -2742.1 10.0 20.0 Fluor-tremolite (Ca2Mg5Si8O22F2)
701 (JSmol) -787.0 -721.0 19.5 16.9 Calcium phosphate (Ca2P2O7) (ICSD 22225)
702 (JSmol) -2370.9 -2159.4 19.4 21.0 Cucurbituril calcium bisulfate sulfuric acid tridecahydrate (BEBDOB)
703 (JSmol) -1229.0 -1205.3 13.6 10.3 Parahilgardite ((CaO)2(B2O3)5(Na2O)(H2O)2)
704 (JSmol) -1016.4 -965.4 9.4 12.9 Langbeinite (K2Ca2(SO4)3)
705 (JSmol) -1426.4 -1345.8 9.3 16.1 Polyhalite (K2Ca2Mg(SO4)4 2(H2O))
706 (JSmol) -1224.2 -1175.5 14.9 13.7 Rosenhahnite (H2Ca3Si3O10)
707 (JSmol) -1661.4 -1649.6 5.6 5.8 Garnet (Al2O3(CaO)3(SiO2)3)
708 (JSmol) -1661.4 -1649.8 5.1 4.5 Grossular ((CaO)3 (Al2O3) (SiO2)3)
709 (JSmol) -987.6 -969.3 -836.8 21.6 3.5 Tricalcium bisphosphate (Ca3(PO4)2) (ICSD 200202)
710 (JSmol) -2007.7 -1798.5 22.7 7.5 Calcium phosphate (Ca4P6O19)
711 (JSmol) -3025.5 -2811.3 7.1 25.2 Apophyllite ((CaO)4 (SiO2)8 (H2O)8 KF)
712 (JSmol) -3026.1 -2810.9 16.9 32.1 Fluorapophyllite (KCa4Si8O20 8(H2O)
713 (JSmol) -1584.6 -1421.5 12.1 12.8 Hydroxylapatite (Ca5(PO4)3(OH))
714 (JSmol) -1610.1 -1422.6 15.0 7.3 Fluorapatite (Ca5(PO4)3F)
715 (JSmol) -1607.3 -1402.7 14.0 10.6 Chlorapatite (Ca5(PO4)3Cl)
717 (JSmol) -426.7 -420.8 6.4 12.0 catena-(tris(mu-2-Formato-O,O')-scandium) (SCFORM11)
718 (JSmol) -549.4 -495.0 8.2 14.2 catena(Aqua-hydroxo-malonato-scandium(iii) dihydrate) (AXMLSC)
721 (JSmol) -563.9 -429.6 25.6 40.7 catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
722 (JSmol) -1681.7 -1524.3 13.0 20.2 Nona-aqua-scandium(iii) tris(trifluoromethanesulfonate) (NINMIG)
725 (JSmol) -362.4 -363.5 16.2 18.1 Trichloro-(2,5,8-trioxononane)-scandium (CORNIG)
726 (JSmol) -456.2 -445.6 -301.2 28.1 61.5 Scandium(iii) oxide (Sc2O3) (ICSD 41264)
727 (JSmol) -924.4 -793.3 16.8 24.0 Thortveitite (Sc2Si2O7)
729 (JSmol) -225.6 -208.3 -229.3 26.5 22.5 Anatase (TiO2)
730 (JSmol) -225.6 -216.7 -229.8 17.7 21.2 Brookite (TiO2)
731 (JSmol) -225.6 -212.9 -230.3 17.4 20.6 Rutile (TiO2)
732 (JSmol) -399.3 -380.5 -373.5 23.7 28.3 Lithium titanium oxide (Li2TiO3) (ICSD 15150)
733 (JSmol) -378.0 -351.7 8.3 24.0 Ti2(C2O4)O3(H2O)3)
734 (JSmol) -594.1 -588.5 16.8 22.1 Aqua titanium(III) EDTA hydrate ((YUCMAK)
735 (JSmol) -191.6 -185.4 12.0 44.0 Titanium(iv) nitrate (Ti(NO3)4)
739 (JSmol) -375.9 -378.9 -354.8 19.8 16.0 Ilmenite (MgTiO3)
740 (JSmol) -519.3 -536.7 -454.0 17.8 18.3 Magnesium titanate (Mg2TiO4) (ICSD 549417)
741 (JSmol) -383.7 -378.7 9.9 20.3 Titanium(iv) oxosulfate (TiO(SO4))
742 (JSmol) -441.0 -401.5 13.4 26.5 Titanium oxide sulfate hydrate (TiO(SO4)(H2O))
743 (JSmol) -480.0 -432.7 9.7 10.0 Tris(Acetylacetonato) titanium(iv) perchlorate (TIACPC)
746 (JSmol) -731.4 -516.2 16.8 11.6 Titanium(iii) perchlorate-hexa-urea complex (TIUERA)
749 (JSmol) -334.4 -274.1 23.9 23.1 bis(Pyridinium) isopropoxy-pentachloro-titanium(iv) (ZUMMUP)
750 (JSmol) -663.6 -629.4 11.6 13.9 18-Crown-6 oxonium clathrate aqua-pentachloro-titanium (SEPJEC)
753 (JSmol) -584.1 -554.9 18.0 14.9 Dichloro-(15-crown-5)-titanium tetrachloro-aluminium (YARSUF)
754 (JSmol) -457.5 -439.4 14.6 11.6 Perovskite (CaTiO3)
755 (JSmol) -648.7 -635.1 9.8 10.0 Titanite (CaTiSiO5)
756 (JSmol) -363.5 -340.7 -429.0 27.7 16.8 Titanium(iii) oxide (Ti2O3) (ICSD 9646)
757 (JSmol) -587.8 -579.5 -644.4 25.4 16.9 Titanium(iii,iv) oxide (Ti3O5) (ICSD 75193)
759 (JSmol) -290.0 -300.9 8.3 21.0 bis(Acetylacetonato)-oxo-vanadium(iv) (ACACVO01)
760 (JSmol) -183.6 -220.5 38.4 10.3 Hexacarbonyl-vanadium (FONGUK)
765 (JSmol) -479.8 -449.8 16.0 29.6 Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
767 (JSmol) -975.3 -949.5 15.9 14.2 bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
769 (JSmol) -145.0 -134.4 -69.5 31.2 57.1 Vanadium(iii) oxychloride (VOCl) (ICSD 1981)
771 (JSmol) -124.2 -121.7 22.2 24.8 (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) NIRKUU)
772 (JSmol) -374.2 -464.4 16.5 24.3 hexakis(Methanol)-vanadium(ii) dichloride (DATBUV)
775 (JSmol) -560.3 -477.8 30.0 18.2 Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
777 (JSmol) -291.3 -255.0 -148.7 12.6 78.8 Vanadium(iii) oxide (V2O3) (ICSD 201106)
778 (JSmol) -370.6 -373.6 -297.5 11.6 53.3 Vanadium(v) pentoxide (V2O5) (ICSD 653926)
779 (JSmol) -440.0 -399.1 21.0 30.1 catena-(1,2-Ethylenediammonium bis(mu-2-oxo)-tetraoxo-di-vanadium) (FUDLOF02)
781 (JSmol) -185.3 -118.1 10.1 20.9 CrO(OH)
782 (JSmol) -201.2 -185.6 67.4 55.5 Chromium(vi) oxide (CrO3) (ICSD 16031)
783 (JSmol) -336.0 -306.8 30.7 31.5 Lithium chromate (Li2CrO4) (ICSD 1972)
784 (JSmol) -310.8 -254.8 21.1 28.8 Ammonium chromate ((NH4)2CrO4) (ICSD 1501451)
785 (JSmol) -276.0 -316.9 17.8 18.2 tetrakis(mu-2-Acetato)-bis(aqua-chromium) (CRAQAC12)
786 (JSmol) -232.4 -248.5 29.4 20.9 Chromium hexacarbonyl (Cr(CO)6))
787 (JSmol) -887.7 -842.3 18.2 13.9 Ammonium tris(oxalato-O,O')-chromium(iii) dihydrate (AMOXCR)
788 (JSmol) -209.0 -221.9 17.5 39.0 Pyridinium fluorochromate (NONYUK)
793 (JSmol) -400.2 -381.6 32.8 40.5 o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
795 (JSmol) -317.4 -352.2 34.0 41.4 Sodium chromate (Na2CrO4) (ICSD 26330)
796 (JSmol) -283.4 -260.4 15.2 58.1 Magnesium chromate (MgCrO4) (ICSD 312936)
797 (JSmol) -554.1 -612.3 21.0 24.4 Kosmochlor (Si2CrNaO6)
798 (JSmol) -17307.0 -14726.7 10.6 13.2 Emerald ((Al2O3)(BeO)3(SiO2)6)
799 (JSmol) -1279.0 -1172.0 31.9 35.1 Ammonium chromium(III) alum ((NH4)Cr(SO4)2 12(H2O))
800 (JSmol) -176.1 -162.9 25.1 46.2 4,4'-Bipyridinedi-ium bis(chloro-trioxo-chromium(vi)) (HIHFOT)
809 (JSmol) -442.3 -557.6 15.2 31.2 Potassium (tetramethylenediamine-N,N,N',N'-tetra-acetato)-chromium(iii) monohydrate (YITNAQ01)
810 (JSmol) -804.0 -776.2 19.8 34.3 trans-Potassium bis(oxalato-O,O')-diaqua-chromium trihydrate (KOXACR)
811 (JSmol) -1389.9 -1017.5 30.2 54.1 Chromium potassium alum (KCr(SO4)2 12(H2O))
812 (JSmol) -314.0 -372.1 30.6 5.2 Tarapacaite (K2CrO4)
813 (JSmol) -358.3 -368.3 41.3 43.4 Calcium chromate (CaCrO4) (ICSD 83387)
814 (JSmol) -1178.1 -1078.4 14.6 24.2 Calcium potassium trisoxalato chromate(III) pentahydrate (KCaCr(III)(C2O4)3 5(H2O))
816 (JSmol) -272.4 -271.9 -188.6 37.1 34.4 Chromium(iii) oxide (Cr2O3) (ICSD 173470)
817 (JSmol) -272.4 -273.1 -190.3 39.9 26.4 Chromium(iii) oxide (Cr2O3) (ICSD 201104)
818 (JSmol) -538.0 -555.0 34.3 25.3 Sodium dichromate (Na2Cr2O7) (ICSD 2534)
819 (JSmol) -435.5 -264.3 36.6 18.6 Magnesium dichromate (MgCr2O4) (ICSD 160953)
820 (JSmol) -301.5 -291.1 27.2 21.8 Cr2SiO4
821 (JSmol) -726.5 -755.8 6.3 27.8 Chromium(iii) sulfate (Cr2(SO4)3) (ICSD 73248)
822 (JSmol) -488.5 -548.2 18.1 33.6 Potassium dichromate (K2Cr2O7) (ICSD 10371)
823 (JSmol) -1284.9 -1352.4 16.7 4.2 Uvarovite (Ca3Cr2Si3O12)
825 (JSmol) -92.1 -75.6 7.4 19.7 22.1 Manganese(ii) oxide (MnO) (ICSD 657304)
826 (JSmol) -157.5 -68.9 51.8 38.5 Manganese(iv) dioxide (MnO2) (ICSD 171866)
827 (JSmol) -124.3 -156.9 -69.5 50.2 23.8 Manganese(iv) dioxide (MnO2) (ICSD 393)
828 (JSmol) -128.8 -77.0 53.9 49.6 MnO(OH)
829 (JSmol) -213.7 -103.5 36.8 79.0 Rhodochrosite (MnCO3)
830 (JSmol) -144.8 -141.2 18.8 28.4 Hexamethylguanidinium pentacarbonyl-manganese (VILRUD)
831 (JSmol) -137.7 -142.8 -29.3 48.9 7.6 Manganese(ii) dinitrate (Mn(NO3)2) (ICSD 412003)
832 (JSmol) -735.6 -650.2 16.9 19.5 Hexaaqua-manganese(ii) ethylenediammoniotetraacetate (ACIJAY)
834 (JSmol) -538.5 -312.9 28.4 48.7 Tetramethylammonium diaqua-tetrafluoro-manganese(iii) (TMAFMN)
835 (JSmol) -317.7 -352.2 -197.3 41.8 38.5 Manganese(ii) metasilicate (MnSiO3) (ICSD 34343)
836 (JSmol) -70.4 -88.5 12.2 8.5 Methyltriphenylphosphonium permanganate (MEPHMN01)
837 (JSmol) -989.9 -732.4 40.4 12.9 Manganese(ii) tetraphosphate (MnP4O11) (ICSD 4282)
838 (JSmol) -254.6 -148.9 42.9 25.9 Manganese(ii) sulfate (MnSO4) (ICSD 31231)
842 (JSmol) -320.8 -160.9 26.3 26.8 bis(2-(Ammoniomethyl)pyridinium) hexachloromanganate(ii) dihydrate (LIDQUL)
843 (JSmol) -200.1 -197.7 -236.6 29.3 6.3 Potassium permanganate (KMnO4)
844 (JSmol) -845.8 -565.7 29.6 15.8 Johannsenite (CaMnSi2O6)
845 (JSmol) -324.0 -324.4 -175.7 25.3 45.0 Manganese titanate (MnTiO3) (ICSD 60006)
846 (JSmol) -229.2 -256.2 -60.3 21.8 11.9 Manganese(iii) oxide (Mn2O3) (ICSD 159865)
847 (JSmol) -413.6 -425.0 -134.7 35.7 45.1 Manganese(ii) orthosilicate (Mn2SiO4) (ICSD 26376)
848 (JSmol) -744.9 -749.9 -364.8 42.7 21.5 Manganese phosphate (Mn3(PO4)2) (ICSD 1322074)
854 (JSmol) -65.0 -103.1 -261.7 26.0 34.2 Iron(ii) oxide (FeO)
855 (JSmol) -176.1 -167.3 21.7 4.5 Iron(iii) oxide hydroxide (FeO(OH))
856 (JSmol) -177.0 -215.3 56.2 39.6 Siderite (FeCO3)
860 (JSmol) -681.6 -674.3 7.3 30.1 Sodium iron(III) EDTA trihydrate (JEPKEU)
861 (JSmol) -276.1 -300.5 -254.7 33.0 34.4 Iron silicate (FeSiO3) (ICSD 17055)
862 (JSmol) -563.9 -506.2 17.2 44.4 Nontronite (Fe(iii)Si2O5(OH))
863 (JSmol) -352.2 -512.5 60.1 65.1 Fe(iii)PO4
864 (JSmol) -221.9 -219.3 -246.9 13.8 43.2 Iron(ii) sulfate (FeSO4) (ICSD 23507)
865 (JSmol) -735.3 -615.9 33.9 31.9 Iron(ii) sulfate heptahydrate (FeSO4 7(H2O)) (ICSD 1120081)
869 (JSmol) -274.4 -322.5 14.0 44.8 Iron(ii) dichloride tetrahydrate (FeCl2 4(H2O))
872 (JSmol) -311.0 -216.2 44.7 45.7 beta-Alaninium tetrachloro-iron(iii) (BALACF)
874 (JSmol) -297.9 -286.9 -285.9 22.2 32.4 Iron titanate (FeTiO3) (ICSD 153492)
875 (JSmol) -345.6 -368.4 -235.7 36.9 62.1 Iron dichromate (FeCr2O4) (ICSD 171121)
876 (JSmol) -353.7 -364.1 -377.9 14.7 11.5 Iron(ii) orthosilicate (Fe2SiO4) (ICSD 41003)
877 (JSmol) -617.4 -641.7 -614.9 4.7 18.3 Iron(iii) sulfate Fe2(SO4)3) (ICSD 31341)
878 (JSmol) -629.3 -527.0 18.9 24.8 Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
886 (JSmol) -56.8 -66.5 -3761.5 24.9 98.1 Cobalt oxide (CoO) (ICSD 9865)
887 (JSmol) -93.6 13.4 14.6 73.5 bis(diethylenetriamine)-cobalt(iii) hexacyano-cobalt(iii) dihydrate (WEQBIE)
888 (JSmol) -128.3 -157.3 -2120.3 38.3 93.0 Cobalt(ii) hydroxide (Co(OH)2)) (ICSD 88940)
889 (JSmol) -170.4 295378.0 25.2 89.1 Cobalt carbonate(CoCO3) (ICSD 52377)
890 (JSmol) -223.8 -350.9 27.7 94.7 Lithium tetracarbonyl-cobalt (FUBYUW)
891 (JSmol) -150.8 -175.0 15.3 51.9 Bisacetylacetonato-cobalt(ii) (LIYLIO)
892 (JSmol) -134.6 -88.5 10.7 94.3 (Cyclopentadienyl-carboxylic acid)-(cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
893 (JSmol) -135.1 -89.2 12.1 87.5 (h5-Cyclopentadienyl-carboxylic acid)-(h5-cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
894 (JSmol) -320.4 -317.2 26.3 49.3 Cobalt diformate dihydrate (Co(HCO2)2(H2O)2) (ICSD 109960)
895 (JSmol) -100.5 -79.7 -32.0 23.7 11.6 Cobalt(ii) dinitrate (Co(NO3)2) (ICSD 412004)
896 (JSmol) -353.9 -369.0 14.0 38.0 tris(Glycinato-N,O)-cobalt(iii) (SEZMEQ)
899 (JSmol) -203.1 -248.3 43.8 56.2 Sodium tetracarbonyl-cobalt (FUBYOQ)
902 (JSmol) -212.3 -213.3 -1726.3 12.7 90.5 Cobalt(ii) sulfate (CoSO4) (ICSD 33736)
904 (JSmol) -2.4 87.5 16.6 48.3 pentakis(Methylisonitrile)-cobalt(i) perchlorate (MINCOP)
908 (JSmol) -411.2 -317.5 20.8 81.9 Diaqua-dichloro-bis(urea)-cobalt (AQURCO10)
909 (JSmol) -530.6 -422.8 20.4 96.5 Cobalt(ii) chloride hexahydrate (CoCl2 6(H2O))
911 (JSmol) -319.3 -220.0 6.4 74.0 (+-)cis-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride monohydrate (CLECOC01)
912 (JSmol) -498.4 -369.1 19.9 14.1 D,L-tris(Ethylenediamine)-cobalt(iii) trichloride trihydrate (COTENC01)
913 (JSmol) -449.8 -326.8 27.2 75.4 trans-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride hydrochloride dihydrate (ETDCOH02)
914 (JSmol) -211.1 -206.7 45.1 39.7 Potassium tetracarbonyl-cobalt (FUBZAD)
915 (JSmol) -375.0 -1486.7 42.0 93.2 Cobalt chromate (CoCrO4) (ICSD 23492)
916 (JSmol) -386.4 -135.0 6.4 42.9 tris(Ethylenediamine) chromium(iii) hexacyano-cobaltate(iii) hexahydrate (ETDHCO)
917 (JSmol) -147.6 -7058.9 9.5 92.9 Cobalt(iii) sesquioxide (Co2O3) (high spin) (ICSD 1300629)
918 (JSmol) -152.6 -22973.2 10.4 94.9 Cobalt(iii) sesquioxide (Co2O3) (low spin) (ICSD 1300628)
919 (JSmol) -589.0 -568.1 11.2 68.2 Diaqua-15-crown-5-cobalt tetrachloro-cobalt monohydrate (VOMWUP)
920 (JSmol) -213.0 -199.6 -7096.3 24.6 93.1 Cobalt oxide (Co3O4) (ICSD 28158)
925 (JSmol) -71.3 -0.1 45.9 41.9 Nickel oxide (NiO) (ICSD 76669)
926 (JSmol) 11.7 -9.7 55.3 87.9 bis((mu-2-Carbonyl)-(cyclopentadienyl)-nickel) (CBCNIB)
927 (JSmol) -126.6 -137.1 -72.9 30.5 29.0 Nickel(ii) hydroxide (Ni(OH)2) (ICSD 28101)
928 (JSmol) -101.4 -93.4 22.9 20.7 ((2S,3S)-1,4-Dimethoxy-2,3-bis((salicylidene)amino)butane)-nickel(ii) (QAPDOB)
929 (JSmol) -7.6 -81.1 57.8 69.9 bis(Hydrogen dimethylglyoximato)-nickel (NIMGLO12)
930 (JSmol) -98.3 -173.4 6.4 10.9 Hexa-ammine-nickel(ii) bis(trinitromethanide) (XIRNUI)
932 (JSmol) -689.4 -769.4 16.4 20.3 Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
933 (JSmol) -10.5 -18.6 17.0 53.5 Ammine-(salicylaldehyde thiosemicarbazonato)-nickel(ii) (AMSCNI11)
934 (JSmol) -208.6 -190.4 -162.1 31.9 41.2 Nickel(ii) sulfate (NiSO4) (ICSD 33737)
935 (JSmol) -711.3 -706.3 -584.2 23.1 18.2 Nickel(ii) sulfate heptahydrate (NiSO4 7(H2O)) (ICSD 39419)
939 (JSmol) -178.7 -213.1 14.3 12.1 bis(bis(2-Aminoethyl)amine)-nickel(ii) dichloride monohydrate (AEAMNI10)
944 (JSmol) -695.7 -603.4 30.0 22.7 Calcium bis(dithio-oxalato-S,S')-nickel hexahydrate (CUPREK)
945 (JSmol) 10.3 184.9 11.0 15.1 tris(1,3-Propanediamine) chromium(iii) pentacyanonickelate(ii) dihydrate (CRTNCN01)
946 (JSmol) -273.7 -117.1 21.0 64.3 Nickel chromate (NiCrO4) (ICSD 18116)
951 (JSmol) -107.5 -106.9 -103.0 14.2 49.5 Copper hydroxide (Cu(OH)2)
952 (JSmol) -107.7 -107.2 -101.4 13.7 49.8 Copper(ii) hydroxide (Cu(OH)2) (ICSD 68459)
953 (JSmol) -290.6 -125.2 14.7 16.1 Tetraammine-copper(ii) bis(pyrazine-2-carboxylate) (TIBWUX)
954 (JSmol) -227.4 -266.0 15.1 14.0 tetrakis(mu-2-Acetato)-bis(aqua-copper(ii)) (CUAQAC)
955 (JSmol) -311.1 -265.3 18.9 25.5 Cis Cu Diglycine (CUGLYM02)
956 (JSmol) -72.4 -49.2 -81.7 21.0 21.8 Copper(ii) nitrate (Cu(NO3)3) (ICSD 28447)
957 (JSmol) -56.9 -100.6 13.5 43.4 Copper ammine nitrate (Cu(NH3)(NO3)2) (ICSD 78922)
958 (JSmol) -154.1 -105.4 9.2 26.1 bis(Ethylenediamine)-bis(nitrato-O)-copper(ii) (COPDEN)
959 (JSmol) -483.7 -440.7 20.8 22.8 Diaqua-bis(malonato-O,O')-copper hexa-aqua-copper (CUMALH)
960 (JSmol) -412.0 -403.7 10.7 16.2 trans-Diaqua-bis(methoxyacetato)-copper(ii) (CUACDH10)
961 (JSmol) -516.7 -460.7 6.5 17.6 Copper(ii) hexaquo dinitrate (Cu(NO3)2(H2O)6) (ICSD 1420846)
963 (JSmol) -237.6 -234.3 30.5 56.4 Copper(II) fluoride, dihydrate (CuF2 2(H2O)) (ICSD 31768)
964 (JSmol) -673.1 -533.8 15.0 17.1 tris(Ethane-1,2-diamine-N,N')-copper(ii) bis(trifluoroacetate) (VIWMOE)
966 (JSmol) -607.3 -673.2 12.2 40.7 Disodium bis(oxalato-O,O')-copper(ii) dihydrate (CUOXNA10)
967 (JSmol) -307.8 -212.4 15.2 58.4 Dioptase Cu6(Si6O18) 6(H2O))
968 (JSmol) -2402.2 -2481.9 45.5 68.2 Turquoise (CuAl6(PO4)4(OH)8 5(H2O))
969 (JSmol) -184.4 -196.9 -50.9 6.0 30.2 Copper sulfate (CuSO4)
970 (JSmol) -388.4 -224.7 17.0 17.0 Tetraamminecopper(ii) sulfate hydrate ([Cu(NH3)4] SO4 H2O) (ICSD 23189)
971 (JSmol) -446.0 -260.6 17.3 22.2 Tetramminecopper sulfate hydrate (Cu(NH3)4 (SO4) (H2O))
972 (JSmol) -574.2 -427.7 23.1 22.0 Copper sulfate pentahydrate (CuSO4 5(H2O))
974 (JSmol) 29.8 44.6 17.8 63.3 bis(2-Thio-6-picoline N-oxide)-copper(ii) (CAQCAY)
975 (JSmol) -901.1 -786.5 11.6 16.5 Diammonium copper sulfate hexahydrate (Cu(NH4)2 (SO4)2 (H2O)6)
976 (JSmol) -886.4 -769.3 9.3 17.5 Diammonium hexaquacopper(ii) sulfate ((NH4)2[Cu(H2O)6](SO4)2) (ICSD 62991)
982 (JSmol) -61.2 -109.8 28.3 15.9 Dichloro-bis(mu-2-(2-(2-dimethylamino)ethylthio)ethanol)-di-copper(ii) (BICTAI)
985 (JSmol) -192.3 -177.9 16.7 99.9 Copper(II) chloride, dihydrate (CuCl2 2(H2O)) (ICSD 15087)
986 (JSmol) -167.8 -165.7 25.2 28.8 Dichloro(1,2-ethanediol) copper(ii) (CETDCU10)
987 (JSmol) -111.7 -26.0 9.4 20.5 (tris(2-Aminoethyl)amine)-pyridine-copper(ii) diperchlorate (SELXIQ)
988 (JSmol) -379.5 -372.4 9.2 20.3 Diaqua-(15-crown-5)-copper(ii) diperchlorate (ROBKOI)
989 (JSmol) -174.5 -235.7 15.5 28.0 Dichloro-(beta-thiodiglycol) copper(ii) (CTDGCU)
990 (JSmol) -109.7 -236.9 16.5 46.1 Aqua-(1,4,7,10-tetrathiacyclododecane)-copper(ii) diperchlorate (CEFXAM)
993 (JSmol) -432.6 -378.0 13.0 58.2 bis(beta-Alaninium) tetrachloro-copper(ii) (BEHXIV)
994 (JSmol) -419.8 -316.8 34.3 38.9 Biquanidinium hexachloro-copper(ii) dihydrate (FOWCUP)
995 (JSmol) -432.7 -420.9 30.0 64.2 (15-Crown-5)-diaqua-cobalt tetrachloro-copper(ii) (JUSGAF)
996 (JSmol) -247.7 -252.7 12.7 21.8 Malachite (Cu2CO3(OH)2)
997 (JSmol) -206.8 -208.3 12.9 19.6 Copper trihydroxide nitrate (Cu2(OH)3(NO3)) (ICSD 201478)
998 (JSmol) -221.7 -242.0 -64.3 12.3 41.7 Copper oxide sulfate (CuO CuSO4) (ICSD 61513)
999 (JSmol) -200.1 -201.6 10.7 21.2 Atacamite (Cu2Cl(OH)3)
1001 (JSmol) -376.2 -361.6 5.9 18.0 Azurite ((CuO)3(CO2)2(H2O))
1002 (JSmol) -119.9 -153.6 33.7 67.5 Brochantite (Cu4(SO4)(OH)6)
1004 (JSmol) -68.3 -82.8 23.1 12.6 Zinc oxide (ZnO) (Cubic) (ICSD 38222)
1005 (JSmol) -83.8 -75.2 -84.6 8.7 9.9 Zincite (ZnO)
1006 (JSmol) -153.4 -135.5 -217.0 23.3 86.1 Zinc hydroxide (Zn(OH)2)
1007 (JSmol) -194.3 -164.0 -175.7 12.3 13.9 Smithsonite (ZnCO3)
1011 (JSmol) -234.9 -189.1 -211.0 18.7 17.0 Zinkosite (ZnSO4)
1014 (JSmol) -801.9 -819.8 25.7 20.8 Hardystonite ((CaO)2(ZnO)(SiO2)2)
1016 (JSmol) -409.9 -323.3 9.7 13.9 Zincochromite (ZnCr2O4)
1017 (JSmol) -385.3 -377.0 -375.9 12.3 16.0 Willemite (Zn2SiO4)
1018 (JSmol) -424.6 -420.5 11.4 16.2 Hemimorphite (H2Zn2SiO5)
1019 (JSmol) -448.7 -402.8 20.9 8.5 Tarbuttite (Zn2(PO4)(OH))
1020 (JSmol) -1521.9 -1446.4 18.0 21.6 Zinc cyclooctaphosphate hydrate (Zn2P4O12 9(H2O))
1021 (JSmol) -762.4 -792.4 8.7 19.5 Hydrozincite (Zn5(CO3)2(OH)6)
1022 (JSmol) -1029.3 -1093.1 11.2 29.7 Sclarite (Zn7 (OH)10 (CO3)2)
1024 (JSmol) -362.5 -350.1 7.5 9.5 tris(Acetylacetonato)-gallium(iii) (ACACGA)
1027 (JSmol) -723.4 -1017.7 12.5 42.7 catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
1031 (JSmol) -260.3 -273.7 -129.4 11.7 42.7 Gallium(iii) oxide (Ga2O3) (ICSD 27431)
1032 (JSmol) -852.9 -1794.6 17.1 75.5 catena-((mu-6-Ethylenediphosphonato)-trans-bis(mu-2-fluoro)-diaqua-di-gallium monohydrate) (XUWVEQ)
1039 (JSmol) -138.6 -121.2 -126.1 10.8 11.2 Germanium(iv) dioxide (GeO2) (ICSD 59639)
1040 (JSmol) -327.8 -263.7 26.8 25.7 (Ethylenediamine)-tetrahydroxy-germanium(iv) (NOHHIC)
1041 (JSmol) -251.6 -241.6 16.3 16.9 1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
1047 (JSmol) -248.5 -181.3 36.1 37.0 1,4-Dioxane dichloro-germanium (DIOXGC03)
1052 (JSmol) -703.2 -646.6 14.5 8.6 catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
1058 (JSmol) -444.4 -440.8 19.3 26.8 Oxonium hexafluoroarsenate(V) (AsF6 (H3O)) (ICSD 61236)
1059 (JSmol) -768.8 -703.6 21.2 68.4 Sodium hydrogen arsenate heptahydrate (Na2HAsO4 7(H2O))
1068 (JSmol) -529.7 -393.2 7.2 15.4 tris(Ethylenediamine)-cobalt(iii) arsenate trihydrate (BIRSUO)
1070 (JSmol) -246.2 -308.7 10.9 69.8 Adamite (Zn2(AsO4)(OH))
1072 (JSmol) -157.1 -157.2 -152.0 30.1 34.8 Claudetite (As2O3)
1073 (JSmol) -221.0 -196.7 -235.5 10.6 17.0 Arsenic(v) pentoxide (As2O5) (ICSD 987)
1075 (JSmol) -305.7 -370.2 24.7 29.6 Potassium dihydrogen arsenate (KHAs2O6)
1077 (JSmol) -888.2 -3466.1 45.7 92.9 Erythrite (Co3(AsO4)2 8(H2O))
1078 (JSmol) -837.1 -602.3 25.9 57.3 Annabergite (Ni3(AsO4)2 8(H2O))
1079 (JSmol) -452.3 -465.8 15.4 28.6 H5As3O10
1081 (JSmol) -355.0 -263.8 44.9 12.9 Cubic arsenic(iii) oxide (As2O3)
1083 (JSmol) -117.9 -80.3 28.4 40.1 Selenium dioxide (SeO2) (ICSD 412233)
1084 (JSmol) -143.5 -77.0 19.2 15.4 Selenic acid (H2SeO4) (ICSD 38432)
1085 (JSmol) -155.3 -79.5 34.5 36.5 Guanidinium hydrogenselenate (HESNAV01)
1086 (JSmol) -356.5 -277.3 28.0 31.8 1,3-Propylenediammonium selenite dihydrate (BAYCEK)
1087 (JSmol) -385.2 -298.6 32.2 29.7 Diglycine selenate (DGLYSE)
1089 (JSmol) -181.3 -267.7 56.0 33.9 Sodium selenate (Na2SeO3) (ICSD 280941)
1090 (JSmol) -148.4 -271.8 40.1 28.9 Disodium selenate (Na2SeO4) (ICSD 150706)
1093 (JSmol) -185.8 -141.0 31.1 24.6 Dioxane-seleninyl-dichloride (DOXSEC)
1094 (JSmol) -93.9 -137.2 15.0 34.5 Potassium 1,2-diseleno-oxalate (SEOXAK)
1098 (JSmol) -186.2 -148.6 10.3 21.3 tris(Selenourea) dichloride monohydrate (SECLUR)
1102 (JSmol) -456.0 -627.1 26.9 46.2 bis(15-Crown-5-sodium) bis(tetraselenido)-zinc (SAMZUB)
1106 (JSmol) -141.8 -165.0 2.7 44.0 Hydrogen bromide dihydrate (HBr (H2O)2) (ICSD 34105)
1107 (JSmol) -90.6 -89.7 -77.6 10.0 25.3 p-Bromobenzoic acid (BRBZAP01)
1108 (JSmol) -151.7 -111.6 24.5 27.7 L-Argininium bromate (JAXFOE)
1109 (JSmol) -248.5 -233.2 9.2 8.1 Munchnone (BFAXZO)
1111 (JSmol) -79.9 -63.6 -129.6 27.9 33.2 Sodium bromate (NaBrO3) (ICSD 1302)
1112 (JSmol) -226.0 -215.0 10.3 17.1 Ethyl magnesium bromide diethyletherate (EMGBRE10)
1116 (JSmol) -86.6 -81.6 15.6 19.6 V (BOQWIN)
1118 (JSmol) -86.1 -47.7 -113.2 12.4 31.2 Potassium bromate (KBrO3) (ICSD 47173)
1119 (JSmol) -68.8 -60.4 -18.7 3.9 25.2 Potassium perbromate KBrO4) (ICSD 15222)
1123 (JSmol) -224.8 -196.4 15.4 33.3 Trans Cu DiGly (IWUBEH)
1128 (JSmol) -218.3 -198.3 7.9 16.9 bis(Guanidinium) eosinate trihydrate (BOJFEM)
1131 (JSmol) -949.9 -916.4 28.3 33.5 Hexa-aqua-magnesium(ii) 18-crown-6 dibromide dihydrate (IFOYAE)
1132 (JSmol) -650.9 -630.0 15.5 18.7 bis((mu-2-N,N-diethylcarbamato-O,O,O')-bromo-bis(tetrahydrofuran)-magnesium) (HOYVUM)
1138 (JSmol) -367.7 -319.4 15.8 14.6 Dibromo-tetrakis(tetrahydrofuran)-calcium naphthalene solvate (NITPUC)
1144 (JSmol) -327.1 -359.9 16.2 21.0 bis(Triethyleneglycol-O,O')-manganese(ii) dibromide (BOTHIC)
1153 (JSmol) -340.5 -303.5 29.7 35.0 Copper(II) bromide, tetrahydrate (CuBr2 4(H2O)) (ICSD 67555)
1154 (JSmol) -417.7 -376.3 44.8 65.6 Copper(II) hexaquo bromate (Cu(H2O)6 BrO3) (ICSD 1402205)
1161 (JSmol) -387.6 -394.4 24.6 28.0 bis(mu-2-Bromo)-bis(1,2-bis(methoxyethoxy)ethane)-di-magnesium bis(mu-2-methyl)-tetrabromo-di-magnesium (OKUTAP)
1163 (JSmol) -109.6 -125.9 -115.4 13.9 25.7 Phosphoric tribromide (POBr3) (ICSD 1100034)
1170 (JSmol) -260.8 -268.3 17.8 29.9 Tribromo-(15-crown-5)-arsenic (JIGSUN)
1185 (JSmol) -155.4 -248.8 27.8 34.3 bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
1194 (JSmol) -380.3 -388.5 59.1 56.8 Rubidium fluoride carbonate (Rb3FCO3) (ICSD 66029)
1197 (JSmol) -100.1 -96.7 -75.3 56.4 59.0 Rubidium deuteriooxide (RbOD) (ICSD 60974)
1198 (JSmol) -92.1 -75.5 49.4 55.4 Rubidium deuteriooxide (RbOD) (ICSD 60976)
1199 (JSmol) -181.6 -148.9 26.7 52.2 Rubidium hydroxide hydrate (RbOH (H2O)) (ICSD 47115)
1200 (JSmol) -232.1 -237.0 -208.5 44.8 51.6 Rubidium metaborate (RbBO2) (ICSD 1005205)
1201 (JSmol) -154.8 -134.6 52.3 58.8 Rubidium oxalate (Rb2C2O4) (ICSD 1003511)
1202 (JSmol) -176.7 -136.4 35.1 48.9 Rubidium formate (RbHCO2) (ICSD 172203)
1203 (JSmol) -118.3 -112.7 -100.9 41.3 63.7 Rubidium nitrate (hexagonal) (RbNO3) (ICSD 1614238)
1204 (JSmol) -316.2 -278.6 22.6 20.8 (Diphenylmethanide)-(18-crown-6)-rubidium (UNIJIK)
1205 (JSmol) -422.8 -394.3 18.0 25.2 (Cyclopentadienyl)-(18-crown-6)-rubidium dimethoxyethane solvate (QEXTIW)
1207 (JSmol) -249.8 -173.2 28.2 29.6 Rubidium dihydrogenphosphate (RbH2PO4) (250131)
1208 (JSmol) -277.0 -276.1 -242.5 21.9 48.9 Rubidium hydrogen sulfate (RbHSO4) (ICSD 36326)
1210 (JSmol) -135.8 -92.1 18.1 41.2 Rubidium chlorate (RbClO3) (ICSD 36260)
1211 (JSmol) -104.5 -110.0 -79.0 9.6 53.2 Rubidium perchlorate (RbClO4) (ICSD 63363)
1212 (JSmol) -1363.9 -1186.9 20.1 23.1 Rubidium chromium alum (RbCr(III)(SO4)2 12(H2O))
1213 (JSmol) -456.6 -419.3 29.8 18.5 bis((18-Crown-6)-rubidium) bis(mu-2-chloro)-tetrachloro-di-copper (JUMJEG)
1215 (JSmol) -515.3 -484.7 10.9 20.5 (18-Crown-6)-diaqua-bromo-rubidium(i) (XAJXUD)
1217 (JSmol) -81.0 -41.8 -25.9 69.0 75.6 Rubidium oxide (Rb2O) (ICSD 77676)
1218 (JSmol) -271.5 -248.9 -228.8 47.5 51.4 Rubidium carbonate (Rb2CO3) (ICSD 414122)
1219 (JSmol) -394.6 -335.9 29.0 52.2 Dirubidium oxalate hydrate (Rb2C2O4 H2O) (ICSD 240494)
1221 (JSmol) -309.4 -280.5 47.6 57.3 Rubidium sulfate (Rb2SO4) (ICSD 203159)
1222 (JSmol) -337.9 -282.9 41.5 61.6 Rubidium chromate (Rb2CrO4) (ICSD 280457)
1223 (JSmol) -477.3 -387.0 50.7 54.6 Rubidium phosphate (Rb3PO4) (ICSD 161677)
1225 (JSmol) -141.5 -142.9 -102.2 41.1 66.3 Strontium oxide (SrO)
1226 (JSmol) -229.2 -237.0 -184.4 44.6 43.4 Strontium hydroxide(Sr(OH)2) (ICSD 1415801)
1227 (JSmol) -314.2 -252.4 33.3 38.6 Strontium hydroxide hydrate (Sr(OH)2 (H2O)) (ICSD 63016)
1228 (JSmol) -291.6 -296.9 -250.2 32.8 21.3 Strontianite (SrCO3)
1229 (JSmol) -333.0 -329.2 -290.8 27.8 34.1 Strontium formate (SrC2H2O4) (ICSD 249198)
1230 (JSmol) -233.8 -234.5 -216.2 21.1 9.0 Strontium nitrate (Sr(NO3)2) (ICSD 35494)
1231 (JSmol) -508.6 -489.2 22.1 17.0 bis(Dimethyl malonato)-(pentamethyldiethylenetriamine)-strontium (OFULOQ)
1232 (JSmol) -486.3 -479.3 14.5 17.0 (18-Crown-6)-bis(nitrato-O,O')-strontium (JAWWAF)
1234 (JSmol) -1178.7 -1141.8 16.3 19.3 18-Crown-6-bis(hexafluoro-acetylacetonato)-strontium (QUGTIW)
1235 (JSmol) -390.5 -389.0 -480.0 24.9 39.9 Strontium metasilicate (SrSiO3) (ICSD 59308)
1236 (JSmol) -1414.8 -1708.2 27.0 53.5 catena-((Ethylenediammonium) tetra-aqua-octaoxo-tetraoxa-tetraphosphacyclo-octane-strontium monohydrate) (VABFEJ)
1238 (JSmol) -347.3 -359.5 -297.4 32.3 13.5 Celestine (SrSO4)
1239 (JSmol) -1170.1 -1002.2 19.8 21.6 catena-((mu-3-3-Carboxy-4-hydroxybenzenesulfonato-O,O',O'')-(3-carboxy-4-hydroxybenzenesulfonato)-tetra-aqua-strontium(ii) dihydrate) (YAMNUW)
1240 (JSmol) -548.5 -466.4 23.8 23.5 catena-((mu-6-D,L-Homocysteic acid)-aqua-strontium chloride) (NARZEM)
1242 (JSmol) -556.2 -494.2 34.7 32.2 catena-((mu-3-L-alanine-O,O,O',O')-chloro-triaqua-strontium chloride) (BOPYOV)
1243 (JSmol) -686.9 -602.3 32.0 32.4 bis(Glycine) strontium dichloride trihydrate (GLYSRC10)
1244 (JSmol) -821.5 -725.6 19.8 20.3 catena-((mu-2-Galactitol)-tetra-aqua-strontium dichloride) (AKOSAU)
1245 (JSmol) -810.1 -622.4 10.2 13.7 tetrakis(Biuret) strontium(ii) perchlorate BIURSR)
1246 (JSmol) -891.5 -944.0 21.4 36.4 Paracelsian (SrGa2Si2O8)
1248 (JSmol) -556.5 -519.7 24.9 21.3 Triaqua-bromo-(12-crown-4)-strontium bromide (WOZHUO)
1249 (JSmol) -550.8 -536.8 -700.5 27.5 70.7 Strontium orthosilicate (Sr2SiO4) (ICSD 544865)
1250 (JSmol) -796.1 -1240.4 39.5 66.2 Strontium phosphate (Sr2P2O7) (ICSD 31004)
1251 (JSmol) -990.3 -1434.0 30.4 62.0 Strontium phosphate (Sr3(PO4)2) (ICSD 410784)
1252 (JSmol) -1592.7 -2259.3 31.3 64.2 Strontium chlorapatite (Sr5(PO4)3Cl) (ICSD 1404651)
1254 (JSmol) -576.1 -642.5 16.8 29.1 Y(III)((Me)6 Acac)3 (HAHTOZ01)
1255 (JSmol) -646.4 -778.4 10.2 55.3 catena-(Ammonium bis(mu-2-oxalato)-aqua-yttrium(ii)) (AYOXLH)
1256 (JSmol) -878.3 -837.3 6.8 16.4 tris(Guanidinium) difluoro-(ethylenediaminetetra-acetato)-yttrium(iii) monohydrate (JIJTIF10)
1259 (JSmol) -1641.6 -1829.2 9.8 82.8 Tri-sodium tris(dipicolinato-N,O,O')-yttrium nonahydrate (YAWPUI)
1260 (JSmol) -408.5 -451.6 29.7 53.2 Xenotime (YPO4)
1261 (JSmol) -1122.2 -1130.2 7.2 33.1 Hexa-aqua-bis(2-naphthalenesulfonato-O)-yttrium(iii) 2-naphthalenesulfonate trihydrate (GAKZAT)
1262 (JSmol) -1427.4 -1431.1 10.3 27.1 Nona-aqua-yttrium(iii) tris(ethyl sulfate) (AYETHS01)
1266 (JSmol) -1164.8 -1345.6 11.7 37.0 Pentapotassium octakis(formato)-yttrium (CAVYUT)
1269 (JSmol) -866.7 -927.7 22.0 22.7 hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
1271 (JSmol) -132.7 -505.5 13.0 32.0 bis((mu-2-Hydroxo)-bis(h5-cyclopentadienyl)-yttrium) diphenylacetylene (GAWLEV)
1272 (JSmol) -455.8 -434.4 -452.0 30.3 30.3 Yttrium(iii) oxide (Y2O3) (ICSD 81861)
1274 (JSmol) -914.8 -1007.8 15.3 36.7 trans-Dichloro-pentakis(tetrahydrofuran)-yttrium(iii) trans-tetrachloro-bis(tetrahydrofuran)-yttrium(iii) (PEHJAN01)
1277 (JSmol) -263.0 -268.4 -286.4 0.2 38.2 Arkelite (ZrO2)
1282 (JSmol) -486.0 -501.4 -461.0 6.7 51.0 Zircon (ZrSiO4)
1283 (JSmol) -529.9 -558.3 -548.8 21.7 15.6 Zirconium(iv) sulfate (ZrS2O8) (ICSD 16001)
1287 (JSmol) -985.9 -975.2 19.7 25.6 bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
1294 (JSmol) -159.4 -186.3 31.8 24.1 tris(Diethyl ether)-lithium hexamethyl-niobium(v) (POZJAP)
1295 (JSmol) -882.5 -799.0 7.6 16.2 Ammonium diaqua-oxo-bis(oxalato-O,O')-niobium(v) trihydrate (AMOXNB)
1299 (JSmol) -802.0 -687.8 23.7 43.2 18-Crown-6-oxonium hexafluoroniobate (SINSAK)
1300 (JSmol) -1439.7 -1342.6 10.5 28.4 Trityl hexakis(pentafluorophenoxy)-niobium (QINKIH)
1302 (JSmol) -883.1 -828.0 19.1 21.5 catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
1304 (JSmol) -210.2 -210.4 -175.2 23.3 69.0 Niobium(v) oxychloride (NbOCl3) (ICSD 412071)
1307 (JSmol) -209.9 -170.6 26.2 28.4 (18-Crown-6-potassium) (h5-cyclopentadienyl)-(h7-heptatrienyl)-niobium (KOSMEK)
1310 (JSmol) -454.0 -428.6 -315.8 9.5 50.0 Niobium(v) pentoxide (Nb2O5) (ICSD 71317)
1315 (JSmol) -12.1 8.7 9.2 12.5 bis(Triethylammonium) dioxonium octacyano-molybdenum(iv) (TEAMOC)
1316 (JSmol) -178.1 -182.8 -178.7 36.0 34.7 Molybdenum(vi) trioxide (MoO3)
1317 (JSmol) -154.1 -154.0 15.1 15.1 Tetra-n-butylammonium h5-cyclopentadienyl-tricarbonyl-molybdenum (BATCOM)
1318 (JSmol) -342.9 -303.1 17.6 30.7 Lithium molybdate (Li2MoO4) (ICSD 92904)
1319 (JSmol) -200.9 -235.7 33.1 45.8 tetrakis(mu-2-Acetato)-di-molybdenum (MOLACE02)
1320 (JSmol) -291.6 -242.0 8.3 11.8 bis(Guanidinium) orthomolybdate (BAGPEE)
1321 (JSmol) -287.8 -288.2 26.5 39.6 Molybdenum oxide dihydrate(MoO5H4)
1322 (JSmol) -234.9 -222.7 -244.8 25.9 10.0 Molybdenum hexacarbonyl (Mo(CO)6) (ICSD 30809)
1323 (JSmol) -76.5 -71.7 7.8 16.2 Mo(IV)(CN)8 (PYCMOA)
1325 (JSmol) -443.5 -454.8 11.1 15.4 p-Cycloheptatrienylium-tricarbonyl-molybdenum(0) tetrafluoroborate (CYHMOC10)
1327 (JSmol) -350.9 -342.8 -317.7 8.5 42.9 Sodium molybdate (Na2MoO4) (ICSD 151970)
1328 (JSmol) -713.6 -829.3 9.9 51.7 Tri-sodium hexakis(formato-O)-molybdenum(iii) (GICNAH)
1329 (JSmol) -413.8 -464.0 21.5 24.2 bis(p-Cyclopentadienyl)hydroxy-methylamino molybdenum(iv) hexafluorophosphate (CHAMOF)
1333 (JSmol) -567.2 -520.4 49.4 45.6 Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
1336 (JSmol) -417.2 -261.5 58.5 16.7 bis(Morpholinium) diaqua-hexachloro-di-molybdenum(ii) (BELWAQ)
1337 (JSmol) -321.1 -273.6 9.0 13.3 Trichloro-tris(urea)-molybdenum (BOHYEC)
1338 (JSmol) -313.8 -288.6 16.6 21.0 bis(Propane-1,3-diammonium) octachloro-di-molybdenum tetrahydrate (ZAXLIT)
1339 (JSmol) -615.2 -601.0 22.7 25.2 18-Crown-6 hydroxonium clathrate aqua-oxo-tetrachloro-molybdenum (JOKGOF01)
1341 (JSmol) -358.2 -315.7 -364.8 32.2 13.7 Potassium molybdate (K2MoO4) (ICSD 16154)
1344 (JSmol) -256.9 -239.5 -342.3 24.1 26.6 Iron molybdate (FeMoO4) (ICSD 312170)
1346 (JSmol) -362.3 -362.0 68.2 59.8 bis(Morpholinium) diaqua-hexabromo-di-molybdenum(ii) (BELWEU)
1347 (JSmol) -538.5 -567.2 17.2 76.8 Oxonium aqua-tetrabromo-oxo-molybdenum 18-crown-6 (KUZTII)
1350 (JSmol) -517.9 -640.2 22.4 33.3 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)
1351 (JSmol) -2160.8 -2033.6 15.1 12.0 Keggin (PIJFUJ)
1353 (JSmol) -139.6 -151.1 19.4 23.5 Tetramethylammonium pertechnetate (DUGNEY10)
1359 (JSmol) -222.2 -176.4 16.7 28.3 bis(Trichloro-tris(dimethylsulfoxide)-technetium(iv)) hexachloro-technetate(iv) (JEPQOL)
1360 (JSmol) -131.7 -153.1 17.7 55.2 fac-Tricarbonyl-(1,4,7-trithiacyclononane)-technetium(i) bromide (NUMRES)
1362 (JSmol) -136.8 -161.0 23.4 25.2 (3,6-Dimethyl-3,6-diazaoctane-1,8-dithiolato-N,N',S,S')-oxo-technetium(v) pertechnetate (GEBLOO)
1363 (JSmol) -1108.3 -1161.1 22.4 40.4 Tetra-potassium bis((mu-2-oxo)-bis(oxalato-O,O')-technetium(iv)) trihydrate (SOSSAU)
1365 (JSmol) -72.9 -81.4 -14.5 38.4 88.8 Ruthenium(iv) dioxide (RuO2) (ICSD 84619)
1366 (JSmol) -57.2 -83.8 -112.9 16.9 89.7 Ruthenium(viii) tetroxide (RuO4) (ICSD 415303)
1367 (JSmol) -361.3 -254.5 12.8 21.5 bis(1,4-bis(1-Azonia-3-azacyclohexen-2-yl)benzene) hexacyano-ruthenium(ii) octahydrate (WUGSEW01)
1370 (JSmol) -491.6 -450.8 17.0 14.9 hexakis(Imidazole)-ruthenium(ii) bis(trifluoromethanesulfonate) (BIXCEQ)
1371 (JSmol) -896.1 -1014.2 28.9 30.1 (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
1372 (JSmol) -570.6 -660.1 16.1 27.2 bis(1,4,7-Trithiacyclononane-S,S',S'')-ruthenium bis(trifluoromethanesulfonate) (FENDUX)
1373 (JSmol) -638.0 -661.8 20.3 20.5 hexakis(Thiourea-S)-ruthenium(ii) bis(trifluoromethanesulfonate) (SIZZAC)
1374 (JSmol) -98.0 -138.4 16.8 16.8 meso-bis(1,4,7-Trithiacyclodecane)-ruthenium(ii) diperchlorate (TAZWOG)
1384 (JSmol) -917.9 -683.8 19.7 20.2 bis(mu-2-Hydroxo)-octa-aqua-di-rhodium(iii) tetrakis(mesitylsulfonate) octahydrate (VIPHAD01)
1385 (JSmol) -239.0 -126.3 18.9 30.7 bis(Dimethylglyoximato)diammine-rhodium(iii) bis(dimethylglyoximato) dichloro-rhodium(iii) tetrahydrate (ACGXRH)
1387 (JSmol) -335.8 -101.4 29.7 31.7 tris(Guanidinium) hexachloro-rhodium(iii) monohydrate (NAMLES)
1390 (JSmol) -266.3 -655.8 24.0 86.0 bis(1,2-Diammonioethane) hexabromo-rhodium(iii) bromide monohydrate (ZOKHEM)
1391 (JSmol) -82.0 -92.5 -581.7 18.4 59.1 Rhodium(iii) oxide (Rh2O3) (ICSD 108941)
1394 (JSmol) 57.3 53.9 22.1 90.3 Bromo-methyl-bis(carbonyl-cyclopentadienyl-rhodium) (MLDRHB10)
1397 (JSmol) -20.4 -39.0 6.6 38.1 32.1 Palladium(ii) oxide (PdO) (ICSD 24692)
1401 (JSmol) 46.9 90.3 7.8 27.7 Ammonium bis(1,2-dicyanoethylene-1,2-dithiolato-S,S')-palladium monohydrate (SAHFOW)
1403 (JSmol) -121.7 -109.6 57.2 28.0 Diammonium bis((mu-2-carbonyl)-dichloro-palladium(i)) (LUPHOT)
1404 (JSmol) -188.1 -99.8 30.0 21.1 Tetra-azacyclotetradecane-palladium(ii) diperchlorate (BUXSIW10)
1408 (JSmol) -705.5 -699.0 21.9 65.3 Potassium bis(oxalato-O,O')-palladium(ii) tetrahydrate (POXPDH)
1418 (JSmol) 3.7 -297.6 56.1 90.6 bis(5,7-Dimethyl-1,8-naphthyridin-2(1H)-one)-di-silver(i) (HEVXOW)
1419 (JSmol) -107.2 -386.6 94.2 88.0 bis(mu-2-Benzoato-O,O')-di-silver(i) (BZOAGA)
1420 (JSmol) -27.7 -501.5 76.3 74.5 bis(mu-2-6-Isopropyltropolonato-O,O')-di-silver(i) (IPACEH)
1421 (JSmol) -43.4 -433.4 35.9 94.8 (mu-2-Phthalato-O,O')-diammine-di-silver(i) (RABVUL)
1422 (JSmol) -15.9 -625.2 61.9 96.0 bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
1423 (JSmol) -159.7 -400.6 94.0 92.0 bis(mu-2-2-Hydroxybenzoato-O,O')-di-silver(i) (KAMTOH03)
1424 (JSmol) -29.7 -7.0 -792.8 84.3 91.7 Silver nitrate (AgNO3)
1425 (JSmol) 1.0 19.0 70.9 51.7 cis,cis,cis-1,4,7-Cyclononatriene silver nitrate complex (CNTAGN10)
1426 (JSmol) 20.8 -535.7 39.9 85.0 Silver nitrate-pyrazine complex (AGPYRZ)
1427 (JSmol) 5.6 -360.9 33.7 70.3 Ammine-(2,2'-bipyridine)-silver(i) nitrate (KUQPOC)
1428 (JSmol) 94.4 -251.3 13.8 65.1 (Nitrato-O)-bis(pyridine-4-carbonitrile-N)-silver(i) (FOHJIV)
1429 (JSmol) -108.3 -578.5 67.4 87.8 bis(Dihydroxybenzoato)-di-silver(i) (KAMTUN)
1430 (JSmol) -120.6 -704.6 86.7 91.3 bis-(mu-2-2,6-Dihydroxybenzoato)-silver(i) (LAYCOD)
1431 (JSmol) -51.9 -453.4 24.6 68.5 (6-Methyl-2-pyridinecarboxylato-N,O)-(6-methyl-2-pyridinecarboxylic acid-N,O)-silver(i) (UBEGOX)
1432 (JSmol) -117.4 -564.2 50.3 87.7 bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
1433 (JSmol) -81.9 -447.8 50.0 64.6 bis(3-Hydroxypyridine-N)-(nitrato-O,O')-silver(i) (MAPNEX)
1434 (JSmol) -240.5 -375.2 67.6 85.4 Dinitrato-(2,2'-bipyridyl) silver(ii) (NDPYAG)
1435 (JSmol) -334.3 -752.8 12.7 74.2 bis(Pyridine-2,6-dicarboxylato)-silver(ii) monohydrate (PYRCAG)
1437 (JSmol) -196.6 -984.1 74.3 92.3 bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
1438 (JSmol) -162.1 -576.5 44.3 85.1 (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
1442 (JSmol) -404.4 -873.7 76.3 85.7 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
1443 (JSmol) -145.0 -511.3 40.1 56.8 (1,1,3,3-Tetraoxo-1,3,2-benzodithiazolido)-acetonitrile-silver(i) (WAKMAW)
1448 (JSmol) -102.4 -644.4 70.1 81.5 Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
1449 (JSmol) 23.1 -381.1 15.6 72.8 di-pyridine-silver(i) perchlorate (NEVRAI)
1450 (JSmol) -46.1 -486.4 8.3 45.7 catena-((mu-3-cis,trans-1,3,5-Triaminocyclohexane)-silver(i) perchlorate) (ABIREJ)
1451 (JSmol) -11.8 -129.2 16.5 26.4 bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
1452 (JSmol) -32.6 37.3 11.8 23.7 catena(bis(mu-2-Adiponitrile-N,N')-silver(i) perchlorate) (AGPADP)
1453 (JSmol) -107.2 230.9 16.8 86.8 Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
1455 (JSmol) -270.2 -1038.6 75.5 99.9 Potassium silver carbonate (KAgCO3) (ICSD 1903697)
1456 (JSmol) -406.4 -1215.6 37.7 92.1 Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
1457 (JSmol) -666.1 -765.5 32.7 53.6 bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
1461 (JSmol) -162.4 34.0 94.7 88.1 Silver(i) oxide (Ag2O) (ICSD 281041)
1462 (JSmol) -120.9 -800.5 98.4 87.7 Silver carbonate (Ag2CO3)
1463 (JSmol) -160.9 -150.5 -1725.4 91.4 99.0 catena((mu-6-Oxalato)-di-silver) (AGOXAL)
1464 (JSmol) -148.7 -1070.5 41.8 87.4 (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
1465 (JSmol) -146.7 -1116.5 43.5 92.0 (mu-2-Hydrogen 1H-imidazole-4,5-dicarboxylate-N,N')-bis(ammine)-di-silver(i) (DUKMOM01)
1466 (JSmol) -691.5 -1704.3 63.4 87.1 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
1467 (JSmol) -171.1 -210.6 -1122.8 78.5 92.8 Silver sulfate (Ag2SO4) (ICSD 27655)
1468 (JSmol) -196.1 -1815.7 42.5 99.3 Silver(i) syn-anti-methane-disulfonate (MEDSUL)
1469 (JSmol) -250.5 -1049.5 19.7 84.1 (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
1470 (JSmol) -174.9 -206.7 -1369.1 30.6 97.5 Silver chromate (Ag2CrO4) (ICSD 160644)
1472 (JSmol) 49.8 -770.3 89.3 96.4 Acetylide-octa-silver hexanitrate (SOVNEW01)
1474 (JSmol) -61.8 -36.7 -67.4 65.0 53.5 Cadmium oxide (CdO) (ICSD 620206)
1475 (JSmol) -134.0 -135.0 -274.4 30.4 87.5 Cadmium hydroxide (Cd(OH)2)
1476 (JSmol) -179.4 -176.8 -159.9 8.0 31.5 Otavite (CdCO3)
1477 (JSmol) -132.6 -60.1 26.6 54.5 Cadmium dinitrate (Cd(NO3)2) (ICSD 297)
1481 (JSmol) -223.1 -241.0 -411.2 5.3 85.5 Cadmium sulfate (CdSO4) (ICSD 100317)
1483 (JSmol) -241.2 -273.2 14.0 18.1 catena-(Potassium (mu-4-2-ethylimidazole-4,5-dicarboxylato)-cadmium(ii)) (KOLXAL)
1484 (JSmol) -361.4 -517.6 18.5 80.5 Potassium catena(tris(mu-2-formato)-cadmium) (CAHMUT)
1485 (JSmol) -464.8 -431.6 11.9 24.1 Potassium tris(acetylacetonato)-cadmium(ii) monohydrate (KACCDM)
1486 (JSmol) -425.8 -427.6 11.9 42.5 catena-(Imidazolium potassium bis(mu-2-oxalato)-cadmium) (MAZYER)
1487 (JSmol) -289.7 -353.7 22.3 47.7 catena-(tris(mu-2-Thiocyanato)-cadmium (18-crown-6)-potassium clathrate) (RAPVAF)
1488 (JSmol) -530.8 -688.8 32.8 49.8 bis(15-Crown-5-sodium) bis(tetraselenido)-cadmium (SANBEO)
1491 (JSmol) -639.6 -610.0 8.3 14.2 catena-(hexakis(mu-2-Oxalato)-hexa-aqua-tetra-indium tetradecahydrate) (BAPMIP)
1492 (JSmol) -1022.0 -919.3 14.1 17.3 tris(Piperazinediium) bis(tris(pyridine-2,6-dicarboxylato-N,O,O')-indium(iii)) dodecahydrate (KEQGUJ)
1495 (JSmol) -616.8 -549.3 15.0 21.6 catena-(Guanidinium bis(mu-2-sulfato-O,O')-diaqua-indium(iii)) (SISPOA)
1500 (JSmol) -209.8 -131.9 14.6 20.5 (18-Crown-6)-potassium bis(pyridine)-tetrakis(isothiocyanato)-indium(iii) pyridine solvate (YUXXIY)
1501 (JSmol) -465.5 -467.1 27.4 22.6 (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
1502 (JSmol) -1104.8 -1102.1 13.3 47.6 Tri-potassium bis(nitrilotriacetato)-indium(iii) pentahydrate (ZUFXAZ)
1509 (JSmol) -831.6 -746.3 23.9 20.2 catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
1510 (JSmol) -221.3 -229.2 -213.6 7.4 4.9 Indium(iii) oxide (In2O3) (ICSD 14388)
1514 (JSmol) -67.1 -75.9 -26.0 53.1 39.2 Tin(ii) oxide (SnO) (ICSD 16481)
1515 (JSmol) -138.1 -107.3 -59.8 3.4 26.3 Cassiterite (SnO2)
1520 (JSmol) -583.4 -581.8 19.0 21.3 bis(3-Carboxyanilinium) hexafluorostannate(iv) (FICWAQ)
1521 (JSmol) -437.6 -481.9 16.0 13.1 catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
1523 (JSmol) -532.8 -491.1 12.9 16.6 15-Crown-5 diaqua-tetrachloro-tin(iv) (FANRUH)
1526 (JSmol) -562.8 -617.4 24.8 26.4 Potassium bis(oxalato)-tin(ii) monohydrate (KSNOXL)
1534 (JSmol) -543.9 -519.0 14.6 46.9 bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
1535 (JSmol) -809.8 -761.8 15.3 9.1 Calcium bis(tris(acetato) tin(ii)) (TACSNC)
1537 (JSmol) -371.1 -305.9 11.9 10.5 catena-(bis(Tetramethylammonium) (mu-3-sulfido)-hexakis(mu-2-sulfido)-tri-tin monohydrate) (YAZNOC)
1539 (JSmol) -437.8 -444.6 18.0 38.5 beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
1546 (JSmol) -406.2 -481.9 44.0 23.8 catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
1547 (JSmol) -463.5 -400.4 40.8 41.4 bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
1548 (JSmol) -585.5 -599.3 19.9 31.2 (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
1550 (JSmol) -55.9 -83.7 27.9 17.9 tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
1558 (JSmol) -120.9 -124.8 9.8 12.3 Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
1564 (JSmol) -232.3 -262.6 23.2 17.5 Antimony(v) pentoxide (Sb2O5) (ICSD 1422)
1565 (JSmol) -469.4 -431.8 44.9 54.0 (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
1566 (JSmol) -882.5 -875.9 20.1 17.0 bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
1567 (JSmol) -1051.6 -1082.2 8.4 16.1 (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
1569 (JSmol) -609.3 -512.6 30.9 37.9 Antimony sulfate (Sb2(SO4)3) (ICSD 618)
1570 (JSmol) -826.7 -835.4 31.1 42.6 Di-potassium bis(tartrato)-di-antimony trihydrate (DKSBTR)
1572 (JSmol) -1005.7 -962.2 18.9 14.7 Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
1573 (JSmol) -338.8 -354.7 -328.4 38.6 5.3 Antimony(iii) trioxide (Sb4O6) (ICSD 16851)
1574 (JSmol) -822.9 -863.7 37.4 32.7 Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
1575 (JSmol) -1102.2 -944.6 27.4 33.2 tris(18-Crown-6 Diammine potassium) undeca-antimonide ammonia solvate (DELHAE)
1578 (JSmol) -103.6 -116.5 3.8 28.1 Tellurium dioxide (TeO2) (ICSD 62897)
1579 (JSmol) -225.3 -244.0 7.6 10.7 Telluric acid (Te(OH)6)) (ICSD 2879)
1580 (JSmol) -648.9 -619.1 23.3 26.5 Telluric acid bis(glycine) monohydrate (BINFAF10)
1584 (JSmol) -205.8 -7208.2 29.9 73.3 catena-(hexakis(mu-2-Methanolato)-di-sodium ditelluride) (ZOMWON)
1585 (JSmol) -277.0 -.- 27.5 -.- Disodium tellurate (Na2TeO4) (ICSD 1492)
1595 (JSmol) -499.2 -516.2 17.8 20.5 bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
1596 (JSmol) -452.4 -480.7 31.6 28.4 (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
1598 (JSmol) -620.7 -616.4 18.4 50.8 Tetrapyridinium bis((mu-2-oxo)-trifluorotellurate(iv)) bis(pentafluorotellurate(iv)) (WAVZID)
1599 (JSmol) -495.6 -497.5 13.0 11.3 catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
1601 (JSmol) -1232.0 -2376.6 35.5 79.5 Potassium bis((18-crown-6)-potassium) tritellurido-gallium acetonitrile solvate (SURDAK)
1602 (JSmol) -1237.3 -1178.6 11.7 27.1 Tetramethylammonium tetrakis(pentafluorotelluryloxy)borate (CIGFEE)
1605 (JSmol) -1419.2 -1943.2 12.0 29.4 Tellurium phosphate (Te8O10(PO4)4) (ICSD 100151)
1609 (JSmol) -125.2 -138.0 35.7 9.9 Lithium iodide hydrate (LiI H2O) (ICSD 86231)
1610 (JSmol) -75.3 -77.4 -66.8 14.7 -0.0 p-Iodobenzoic acid (BENMOW04)
1611 (JSmol) -55.0 -57.6 -188.0 19.4 58.5 Hydrogen iodate (HIO3) (ICSD 66643)
1612 (JSmol) -603.1 -545.4 2.9 5.8 Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
1614 (JSmol) -115.2 -93.6 -282.2 42.9 70.1 Sodium iodate (NaIO3) (ICSD 20168)
1615 (JSmol) -102.6 -93.3 -239.1 13.6 52.0 Sodium periodate (NaIO4) (ICSD 14287)
1619 (JSmol) -86.6 -133.8 20.6 20.6 4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
1621 (JSmol) -119.0 -82.7 -196.7 24.2 45.8 Potassium iodate (cubic) (KIO3) (ICSD 28545)
1622 (JSmol) -119.9 -83.5 -209.7 10.7 49.0 Potassium iodate (hexagonal) (KIO3) (ICSD 97995)
1623 (JSmol) -119.8 -84.2 -222.4 10.4 46.7 Potassium iodate (triclinic) (KIO3) (ICSD 20198)
1624 (JSmol) -111.7 -91.7 -199.0 15.3 57.2 Potassium periodate (KIO4) (ICSD 83376)
1632 (JSmol) -91.0 -83.1 13.2 48.0 Rubidium iodate (RbIO3) (ICSD 2825)
1633 (JSmol) -87.1 -122.0 9.0 54.4 Rubidium iodate hexagonal (RbIO3) (ICSD 1401730)
1634 (JSmol) -397.2 -283.3 19.4 34.1 bis(mu-2-Periodato)-bis(18-crown-6)-di-rubidium (JODBUA)
1636 (JSmol) -109.2 -109.3 15.6 14.4 trans-Dioxo-bis(ethylenediamine)-technetium iodide (BEWREA)
1637 (JSmol) -178.3 -169.8 24.1 21.0 Trimethylenediamine-dioxo-technetium(v) iodide monohydrate (NIPRIN)
1639 (JSmol) -0.6 -661.0 50.4 86.9 Silver iodate (AgIO3) (ICSD 14100)
1640 (JSmol) 36.7 -913.1 35.1 90.9 Silver periodate (AgIO4)
1645 (JSmol) 18.0 -3.0 14.6 18.0 IX (XATMIP)
1646 (JSmol) -51.4 -206.1 15.1 29.7 2,8-dioxo-4,6-diphenyl-4-diioda-3,5,7-trioxanonane (AHORIZ)
1648 (JSmol) -131.0 -137.0 27.3 83.1 bis(Di-iodo-(diethyl ether)-aluminium(ii)) (NIZWIC)
1650 (JSmol) -150.2 -289.6 12.9 19.9 4,6-diphenyl-4l3,6l3-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide (BACCUF)
1652 (JSmol) -437.2 -377.8 18.3 24.0 tris(1,2-bis(Dimethoxy)ethane-O,O')-iodo-calcium iodide (ULOGAD)
1657 (JSmol) -96.1 45.8 16.0 87.8 Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
1658 (JSmol) -137.0 -94.9 22.1 92.6 Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
1659 (JSmol) -362.2 -94.8 10.8 83.1 Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
1661 (JSmol) -112.6 -156.6 17.4 14.9 Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
1669 (JSmol) -335.5 -304.6 24.1 26.8 trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
1670 (JSmol) -425.2 -395.9 35.0 26.9 tris(1,2-Dimethoxyethane-O,O')-diiodo-strontium(ii) (FOGRUP)
1680 (JSmol) -329.5 -627.3 20.7 41.8 a,e-Diaminocapronic acid iodic acid (HIRMOK)
1684 (JSmol) 20.4 -194.4 16.4 23.9 catena-(((((((Hydroxy(phenyl)iodanyl)oxy)(phenyl)-iodanyl)oxy)-sulfonyl)oxy)(phenyl)iodane) (NILXUC)
1687 (JSmol) -502.7 -448.6 15.9 17.4 hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
1699 (JSmol) -450.9 -425.4 29.7 35.6 18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
1707 (JSmol) -150.6 -411.5 10.3 29.7 (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
1715 (JSmol) -106.4 -55.0 17.5 45.2 Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
1724 (JSmol) -563.4 104.6 8.9 9.7 trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
1726 (JSmol) -727.7 -823.7 15.0 31.6 Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
1731 (JSmol) -151.6 -121.6 74.5 67.9 Xenon trioxide (XeO3) (ICSD 26627)
1733 (JSmol) -198.1 109.4 57.6 95.7 Xenon difluoride dioxide (XeF2O2) (ICSD 10203)
1738 (JSmol) -171.9 -82.4 58.7 61.9 Potassium fluorotrioxoxenate (KXeO3F) (ICSD 15219)
1742 (JSmol) -99.7 -98.9 -119.2 26.6 23.3 Cesium deuteroxide (CsOD) (ICSD 60971)
1743 (JSmol) -169.0 -163.9 10.4 38.9 Cesium hydroxide hydrate (CsOH H2O) (ICSD 280909)
1744 (JSmol) -230.9 -215.4 -254.7 23.1 49.0 Cesium hydrogen carbonate (CsHCO3) (ICSD 300259)
1745 (JSmol) -103.5 -181.2 14.7 29.4 Cesium nitrate (CsNO3) (ICSD 60579)
1746 (JSmol) -1125.0 -1105.2 5.6 9.0 Picrato-valinomycin-cesium (DOWDAU)
1748 (JSmol) -1198.5 -1191.2 22.3 31.4 bis(15-Crown-5)-cesium heptafluoro-2,4-bis(trifluoromethyl)pentenide (CAZWUW)
1749 (JSmol) -345.0 -445.4 10.3 54.1 Cesium dihydrogen phosphate (CsH2PO4) (ICSD 79608)
1751 (JSmol) -259.3 -221.0 21.1 62.1 CsHSO4
1753 (JSmol) -102.2 -176.4 17.3 45.1 Cesium perchlorate (CsClO4) (ICSD 63364)
1754 (JSmol) -2012.0 -2018.8 40.7 42.0 Lithium sodium potassium cesium silicate (Li12Na2KCsSi4O16)
1755 (JSmol) -911.6 -898.6 10.1 29.6 Tetramethylammonium cesium (mu-2-fluoro)-aqua-heptafluoro-dioxo-di-vanadium (SARLUS)
1756 (JSmol) -1151.1 -970.8 16.4 48.3 Cesium iron(iii) sulfate dodecahydrate (CsFe(SO4)2 (H2O)12) (ICSD 201213)
1758 (JSmol) -1803.8 -1953.1 13.2 56.1 Cesium tetrakis(hexafluoroacetylacetonato)-yttrate(iii) (CYSFAC10)
1759 (JSmol) -229.9 -466.3 23.6 64.7 18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
1761 (JSmol) -476.3 -550.4 33.9 62.0 Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
1764 (JSmol) -69.6 -196.3 2.1 42.8 Cesium iodate (CsIO3) (ICSD 61009)
1765 (JSmol) -72.9 -149.0 14.0 22.0 Cesium iodate cubic (CsIO3) (ICSD 308773)
1767 (JSmol) -717.1 -114.5 63.4 88.9 Cesium tris(tetrafluorooxoxenon(VI)) fluoride (Cs(XeOF4)3F) (ICSD 49680)
1768 (JSmol) -82.6 -108.9 -158.7 23.8 18.9 Cesium oxide (Cs2O) (ICSD 27919)
1769 (JSmol) -272.4 -255.7 -351.8 22.0 16.1 Cesium carbonate (Cs2CO3) (ICSD 14156)
1770 (JSmol) -344.8 -297.7 -272.7 22.3 44.7 Cesium sulfate (Cs2SO4) (ICSD 1617377)
1771 (JSmol) -338.5 -459.2 17.7 10.8 Cesium chromate (Cs2CrO4) (ICSD 300021)
1773 (JSmol) -474.4 -680.9 33.4 30.7 Cesium phosphate (Cs3PO4) (ICSD 161678)
1777 (JSmol) -131.0 -131.9 -182.1 12.3 1.2 Barium oxide (BaO)
1778 (JSmol) -225.8 -238.0 -507.6 17.8 66.3 Barium hydroxide (Ba(OH)2) (ICSD 56737)
1779 (JSmol) -225.8 -232.9 -512.6 12.9 74.0 Barium hydroxide (Ba(OH)2) (ICSD 92788)
1780 (JSmol) -289.9 -252.1 -274.8 4.7 72.9 Witherite (BaCO3)
1781 (JSmol) -183.6 -176.7 -422.7 10.2 56.1 Barium nitrite (Ba(NO2)2) (ICSD 29510)
1782 (JSmol) -482.4 -797.9 23.5 68.2 Ba(OH)2 3(H2O)
1783 (JSmol) -236.1 -211.9 -395.4 1.2 36.3 Barium nitrate (Ba(NO3)2) (ICSD 35495)
1784 (JSmol) -845.8 -1066.8 29.1 62.0 Barium hydroxide octahydrate (BaO10H18)
1785 (JSmol) -645.1 -843.4 7.2 45.9 Barium oxalate oxalic acid dihydrate (BAHOXH11)
1787 (JSmol) -845.2 -1093.8 8.4 22.5 Diaqua-(1,10-diaza-18-crown-6)-tetrafluorosuccinato-barium (MUJBEY)
1788 (JSmol) -980.5 -1131.7 17.2 16.5 aqua-bis(hexafluoropentane-2,4-dione)-barium (KOWPOB)
1790 (JSmol) -368.7 -687.7 11.9 17.4 bis(Tetrahydrofuran-O)-bis(bis(trimethylsilyl)amido)-barium (KILXOS)
1791 (JSmol) -616.7 -962.5 26.7 54.2 BaP2O6
1793 (JSmol) -352.1 -332.2 -383.8 14.2 16.3 Barite (BaSO4)
1796 (JSmol) -349.0 -341.9 -663.9 16.8 75.2 Barium chloride dihydrate (BaCl2 2(H2O)) (ICSD 2254)
1797 (JSmol) -254.0 -501.8 5.2 61.4 Barium chlorate (Ba(ClO3)2) (ICSD 40285)
1798 (JSmol) -818.6 -1054.2 22.1 37.0 Chloro-(18-crown-6)-triaqua-barium chloride dihydrate (LIFFIQ)
1799 (JSmol) -461.8 -711.4 9.6 41.6 (18-Crown-6)-bis(perchlorato)-barium (MIFNUL)
1800 (JSmol) -477.3 -723.3 8.8 22.2 Di-isothiocyanato-nonaoxabicyclo heptacosane)-barium dichloromethane solvate (COCLIP)
1801 (JSmol) -560.1 -735.2 19.4 53.8 Barytocalcite (CaCa(CO3)2)
1803 (JSmol) -904.6 -974.8 30.1 39.9 Podlesnoite (BaCa2(CO3)2F2)
1804 (JSmol) -396.7 -410.7 -606.9 10.6 31.1 Barium titanate (BaTiO3)
1805 (JSmol) -1019.1 -1117.8 15.4 10.7 Benitoite ((BaO)(TiO2)(SiO2)3)
1806 (JSmol) -345.6 -336.0 -518.5 5.2 34.1 Barium chromate (BaCrO4) (ICSD 62560)
1807 (JSmol) -700.8 -914.0 13.6 19.4 bis(15-Crown-5)-barium tetrachloro-copper (HEPWOO)
1809 (JSmol) -365.7 -622.8 10.3 25.4 Barium cryptate(222) tetraselenide ethylenediamine solvate (BINDEH10)
1812 (JSmol) -326.5 -325.8 -666.9 13.1 83.8 Barium bromide dihydrate (BaBr2 2(H2O)) (ICSD 33949)
1813 (JSmol) -642.5 -923.7 30.3 51.0 Bromo-(15-crown-5)-triaqua-barium bromide monohydrate (LIFDAG)
1814 (JSmol) -722.4 -1002.9 13.2 29.1 bis(1,4,7,10,13-Pentaoxacyclopentadecane)-barium bromide dihydrate (PXCDBA)
1818 (JSmol) -177.6 -368.1 15.2 27.8 catena-(tris(mu-2-4,4'-Bipyridine)-tetrakis(propan-1-ol)-tetra-iodo-di-barium(ii) bis(4,4'-bipyridine)) (TAQJIE)
1819 (JSmol) -199.4 -580.6 13.6 59.0 Barium iodate (Ba(IO3)2) (ICSD 23276)
1820 (JSmol) -716.4 -984.0 17.7 28.8 Aqua-(7,16-bis(2-O-hydroxyethyl-2-oxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane)-barium(ii) di-iodide dihydrate (VEPMUY)
1821 (JSmol) -754.6 -1490.3 24.9 46.1 catena-((mu-3-Methanol)-bis(mu-2-hydroxo)-methanol-barium methanol solvate) (GEMVOK)
1822 (JSmol) -941.9 -1552.5 31.7 67.6 Dibarium Magnesium Phosphate (Ba2MgP2O8)
1824 (JSmol) -1557.3 -2827.6 9.0 51.3 Barium ethylenediamine-tetra-acetate hydrate (BAEDTA)
1825 (JSmol) -1594.3 -2846.6 8.9 60.1 Alforsite (Ba5(PO4)3Cl)
1827 (JSmol) -242.0 -1076.4 36.2 98.6 Lanthanum(iii) hydroxide (La(OH)3) (ICSD 548159)
1828 (JSmol) -865.8 -976.8 16.9 17.7 La Complex Sparkle (HUFQOO)
1829 (JSmol) -299.8 -304.0 -542.3 72.5 55.1 Lanthanum(iii) nitrate (La(NO2)3) (ICSD 281587)
1830 (JSmol) -944.0 -1031.6 11.7 13.4 La Complex Sparkle (TEQBOG)
1831 (JSmol) -1380.8 -1478.9 12.8 16.5 La Complex Sparkle (HETALA11)
1832 (JSmol) -1095.2 -1214.0 11.7 12.9 La Complex Sparkle (SUZXIU)
1835 (JSmol) -471.2 -1103.0 15.4 92.0 Lanthanum phosphate (LaPO4) (ICSD 79747)
1836 (JSmol) -1355.2 -1473.0 18.6 35.3 Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
1837 (JSmol) -1194.8 -1280.2 20.6 23.9 Ammonium lanthanum sulfate (ICSD 20895)
1838 (JSmol) -1558.0 -1779.3 15.3 71.0 Nona-aqua-lanthanum tris(trifluoromethanesulfonate) (BUVVIX)
1840 (JSmol) -430.6 -569.3 10.9 60.3 (15-Crown-5)-trichloro-lanthanum(iii) (YICCES)
1841 (JSmol) -204.2 94.0 15.4 16.0 cis-tetrakis(Triaza-tris(s-homobenzene)-N,N',N'')-lanthanum triperchlorate acetonitrile solvate (DEGDEY)
1842 (JSmol) -1445.4 -1476.9 16.7 17.4 La Complex Sparkle (YIVZIM)
1848 (JSmol) -428.7 -383.7 -2047.7 29.5 87.3 Lanthanum(iii) oxide (La2O3) (ICSD 56771)
1849 (JSmol) -1740.8 -2059.5 8.9 12.3 Trilithium dilanthanum nitrate trihydrate (ICSD 39514)
1850 (JSmol) -1353.3 -1823.0 28.3 33.2 Lanthanum(iii) sulfate nonahydrate (La2(SO4)3 9(H2O)) (ICSD 1408775)
1851 (JSmol) -671.9 -739.2 41.4 21.1 Dibromo-bis(diglyme-O,O',O'')-lanthanum(iii) tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) (RIGYUB)
1852 (JSmol) -196.1 -262.1 26.8 22.8 Ce Complex Sparkle (SOZLUO)
1853 (JSmol) -157.3 -367.8 7.6 14.9 Ce Complex Sparkle (PEKWEH)
1854 (JSmol) 96.5 -270.5 12.6 17.5 Ce Complex Sparkle (TIJCIY)
1855 (JSmol) -590.5 -829.3 8.1 17.9 Ce Complex Sparkle (GINNUM)
1857 (JSmol) -163.0 -371.0 7.7 11.3 Pr Complex Sparkles (PELGOC)
1858 (JSmol) -1436.4 -1537.3 18.1 17.5 Pr Complex Sparkles (BUVWIY01)
1859 (JSmol) -1211.1 -1450.9 14.0 16.7 Pr Complex Sparkles (VELRUZ)
1860 (JSmol) 159.5 -218.7 13.6 18.8 Pr Complex Sparkles (KAWBIT)
1862 (JSmol) -119.1 -577.5 12.7 15.3 Pr Complex Sparkle (ICSD 411291)
1864 (JSmol) -188.8 -266.0 17.6 20.8 Nd Complex Sparkle (QAYWOC)
1865 (JSmol) -244.1 -566.1 27.5 34.2 Nd Complex Sparkle (ICSD 37181)
1866 (JSmol) -1370.7 -1507.9 10.2 12.7 Nd Complex Sparkle (BUVWOE01)
1867 (JSmol) -313.8 -639.8 15.5 21.8 Nd Complex Sparkle (NATPAZ01)
1868 (JSmol) 83.1 -271.8 23.1 31.8 Nd Complex Sparkle (BILSIY)
1869 (JSmol) 25.6 -476.9 13.3 15.9 Nd Complex Sparkle (ICSD 411290)
1871 (JSmol) -287.8 -462.4 15.1 16.5 Sm Complex Sparkle (XAXYAW)
1872 (JSmol) -350.8 -568.3 19.1 19.0 Sm Complex Sparkle (YEYLAP)
1873 (JSmol) -180.6 -492.1 8.8 13.4 Sm Complex Sparkle (QIPQOV)
1874 (JSmol) -664.1 -926.9 7.3 11.7 Sm Complex Sparkle (CORKEZ)
1875 (JSmol) -55.8 -412.3 24.8 18.9 Sm Complex Sparkle (XAGVOQ)
1876 (JSmol) -1385.7 -1520.9 21.1 21.5 Sm Complex Sparkle (BUVWUK01)
1877 (JSmol) -440.2 -721.8 12.7 23.1 Sm Complex Sparkle (KUYBAH)
1878 (JSmol) -26.9 -440.5 14.2 19.4 Sm Complex Sparkle (ICSD 409528)
1880 (JSmol) 33.6 -101.5 19.8 21.9 Eu Complex Sparkle (PIEUAC01)
1881 (JSmol) -265.5 -369.7 17.0 36.9 Eu Complex Sparkle (ICSD 280528)
1882 (JSmol) -1367.1 -1349.8 22.0 23.5 Eu Complex Sparkle (BUVXAR11)
1883 (JSmol) -421.6 -558.2 9.8 23.8 Eu Complex Sparkle (FUXPOD)
1884 (JSmol) -513.2 -565.4 12.5 17.3 Eu Complex Sparkle (QAKWUU)
1886 (JSmol) -212.9 -528.8 11.7 22.6 Gd Complex Sparkle (ICSD 109886)
1887 (JSmol) 373.7 -98.4 12.0 16.6 Gd Complex Sparkle (PADEGA10)
1888 (JSmol) -389.4 -853.2 95.2 25.0 Gd Complex Sparkle (JOPJIH01)
1889 (JSmol) -849.5 -1058.2 16.5 45.5 Gd Complex Sparkle (CULNIG10)
1890 (JSmol) -1323.5 -1485.2 22.2 21.5 Gd Complex Sparkle (BUVVOD01)
1891 (JSmol) -62.9 -489.5 9.3 12.8 Gd Complex Sparkle (VEDSEC)
1893 (JSmol) 212.1 18.3 9.8 11.3 Tb Complex Sparkle (ICSD 1522521)
1894 (JSmol) 152.0 -8.4 15.8 17.8 Tb Complex Sparkle (XEXJIT)
1895 (JSmol) -496.5 -607.3 20.2 29.3 Tb Complex Sparkle (ICSD 1408781)
1896 (JSmol) -1064.5 -1056.5 21.2 22.5 Tb Complex Sparkle (ZZZARD01)
1897 (JSmol) -1339.8 -1350.4 22.6 21.8 Tb Complex Sparkle (BUVXEV01)
1898 (JSmol) -390.4 -552.6 7.9 22.4 Tb Complex Sparkle (KUYBEL)
1899 (JSmol) -348.8 -525.7 18.8 27.8 Tb Complex Sparkle (KITGAV)
1900 (JSmol) -499.8 -648.8 8.8 17.5 Tb Complex Sparkle (FOPPUV)
1901 (JSmol) 58.1 8.3 14.1 15.6 Tb Complex Sparkle (VAPTEL01)
1902 (JSmol) 68.3 -277.5 19.7 8.8 Dy Complex Sparkle (ICSD 200095)
1903 (JSmol) -261.8 -540.3 21.5 23.4 Dy Complex Sparkle (QQQEMM01)
1904 (JSmol) -1285.2 -1380.0 23.4 24.5 Dy Complex Sparkle (BUVXIZ01)
1905 (JSmol) -153.9 -400.5 28.0 31.4 Dy Complex Sparkle (CECLIF10)
1906 (JSmol) -343.0 -596.9 11.5 25.4 Dy Complex Sparkle (FUXRAR)
1907 (JSmol) -993.4 -1115.5 12.1 21.2 Dy Complex Sparkle (FOPNAZ)
1908 (JSmol) -781.8 -1108.3 15.7 20.7 Dy Complex Sparkle (ICSD 1904895)
1909 (JSmol) 7.3 -376.1 27.8 29.5 Ho Complex Sparkle (ICSD 200096)
1910 (JSmol) 211.7 -162.9 12.6 15.7 Ho Complex Sparkle (BAGBAN)
1911 (JSmol) 211.3 -153.7 11.7 13.3 Ho Complex Sparkle (CAQFUV)
1912 (JSmol) -493.3 -685.0 29.4 32.4 Ho Complex Sparkle (BEYSAZ)
1913 (JSmol) -274.8 -1083.5 42.9 14.4 Ho Complex Sparkle (ECOJEL)
1914 (JSmol) -1060.3 -1181.5 36.2 36.3 Ho Complex Sparkle (HOESUL02)
1915 (JSmol) -1328.1 -1475.5 7.2 15.7 Ho Complex Sparkle (BUVXOF01)
1916 (JSmol) -239.9 -506.9 17.2 33.0 Ho Complex Sparkle (XEWVIE)
1917 (JSmol) -831.4 -1229.7 18.6 25.9 Ho Complex Sparkle (ICSD 1421578)
1919 (JSmol) 18.2 -271.2 35.7 16.8 Er Complex Sparkle (ICSD 34473)
1920 (JSmol) 131.5 -282.9 18.8 24.6 Er Complex Sparkle (ICSD 200097)
1921 (JSmol) -23.7 -305.9 8.1 13.1 Er Complex Sparkle (HAGSAJ)
1922 (JSmol) -198.7 -497.0 16.0 24.0 Er Complex Sparkle (LEYJII)
1923 (JSmol) -779.2 -845.2 7.4 10.6 Er Complex Sparkle (DIYNII)
1924 (JSmol) -567.2 -930.4 36.0 25.3 Er Complex Sparkle (ICSD 413883)
1925 (JSmol) 568.3 213.1 3.6 8.0 Er Complex Sparkle (BOWXOA)
1926 (JSmol) 25.8 -326.1 5.7 20.1 Tm Complex Sparkle (ICSD 69336)
1927 (JSmol) -107.5 -307.6 10.6 17.2 Tm Complex Sparkle (COZHII)
1928 (JSmol) -44.6 -312.7 16.7 18.3 Tm Complex Sparkle (TUPYUY)
1929 (JSmol) -175.2 -361.7 7.1 15.7 Tm Complex Sparkle (ICSD 39918)
1930 (JSmol) -1004.0 -1081.1 24.9 25.6 Tm Complex Sparkle (ZZZARJ01)
1931 (JSmol) -293.6 -552.9 23.4 33.1 Tm Complex Sparkle (KITHAW)
1933 (JSmol) -351.0 -934.7 17.9 23.5 Tm Complex Sparkle (NIHZUZ)
1935 (JSmol) 241.6 -70.8 16.4 18.8 Yb Complex Sparkle (MIPTUA)
1936 (JSmol) 241.3 -96.4 19.0 18.8 Yb Complex Sparkle (RENXIR)
1937 (JSmol) 374.3 -27.3 13.3 13.9 Yb Complex Sparkle (QAXYAP)
1938 (JSmol) -1214.0 -1407.7 21.3 19.7 Yb Complex Sparkle (BUVYEW01)
1939 (JSmol) -1630.6 -2165.4 21.2 20.5 Yb Complex Sparkle (QAKXIJ)
1944 (JSmol) -502.1 -1029.2 9.5 11.4 Lu Complex Sparkle (TABCOO)
1947 (JSmol) -448.7 -1668.1 45.0 99.9 Lutetium phosphate (LuPO4) (ICSD 79761)
1948 (JSmol) -1041.8 -1260.5 21.5 34.2 (mu-2-1,4,7,10-Tetra-azacyclododecane-1,4,7-triacetato-10-methyl hydrogen phosphonato)-triaqua-lithium-lutetium(iii) dihydrate (LARLAS)
1949 (JSmol) -314.5 -484.7 23.0 16.4 (2,2'-(1,3-dithiapropane-1,3-diyl)bis(6-t-butyl-4-methylphenolato))-bis(tetrahydrofuran)-((trimethylsilyl)methyl)-lutetium tetrahydrofuran solvate (JOJQAB)
1950 (JSmol) -1029.3 -1007.6 14.3 22.9 bis(Hexaaqua-(benzene-1,2-disulfonato)-lutetium(iii)) benzene-1,2-disulfonate tetrahydrate (GIFBUT)
1951 (JSmol) -1364.4 -1242.6 25.0 27.2 Nona-aqua-lutetium tris(ethyl sulfate) (ZZZARM01)
1952 (JSmol) -1885.5 -2157.4 13.0 16.1 Lu Complex Sparkle (UFIROQ)
1953 (JSmol) -2183.8 -2332.9 18.7 27.1 Lu Complex Sparkle (BUVVUJ)
1954 (JSmol) -1639.8 -1538.5 18.2 13.4 Nona-aqua-lutetium tris(trifluoromethanesulfonate) (BUVVUJ)
1955 (JSmol) -78.6 -113.0 8.3 10.6 Chloro-bis(cyclopentadienyl)-(tetrahydrofuran)-lutetium (FATGIQ10)
1958 (JSmol) -377.9 -393.3 17.6 13.7 Trichloro-tris(tetrahydrofuran)-lutetium (HAFWAM)
1959 (JSmol) -429.4 -439.3 14.6 18.0 Trichloro-(triethylene glycol)-lutetium (FUXSEW)
1960 (JSmol) -988.1 -929.4 21.0 19.1 15-Crown-5 octa-aqua-lutetium trichloride (FILVUR)
1961 (JSmol) -1140.1 -1326.0 15.9 28.6 Lu Complex Sparkle (ICSD 410763)
1962 (JSmol) -526.2 -434.7 28.6 34.4 Lutetium(iii) perchlorate trihydrate (Lu[ClO4]3[H2O]3)
1965 (JSmol) -192.1 -186.8 20.0 15.9 Dibromo-(tetrahydrofuran)-(2,6-bis((3-mesityl-1,3-dihydroimidazol-2-ylidene)methyl)phenyl)-lutetium tetrahydrofuran solvate (TOJMEL)
1967 (JSmol) -993.7 -1324.3 16.9 29.2 Lu Complex Sparkle (XECQUR)
1969 (JSmol) -455.0 -416.6 30.1 32.1 cis-Diiodo-tetrakis(isopropanol)-lutetium(iii) iodide (ESECEK)
1970 (JSmol) -448.9 -445.2 -509.6 30.1 22.1 Lutetium(iii) oxide (Lu2O3) (ICSD 151762)
1974 (JSmol) -273.6 -273.9 -244.4 17.1 82.9 Hafnium(iv) dioxide (HfO2) (ICSD 27313)
1975 (JSmol) -809.6 -739.0 13.3 20.8 bis(Guanidinium) difluoro-(ethylenediaminotetra-acetato)-hafnium(iv) monohydrate (ZULSEE)
1977 (JSmol) -758.2 -754.8 15.2 24.3 Tetramethylene-1,4-diammonium bis(mu-2-fluoro)-octafluoro-diaqua-di-hafnium(iv) tetrahydrate (ROLPEN)
1979 (JSmol) -2110.8 -2105.7 16.0 53.5 Sodium tetrakis(catecholato)-hafnium(iv) hydrate (HFCATH)
1983 (JSmol) -770.2 -986.7 23.2 79.7 catena-(Di-rubidium(i) bis(mu-2-fluoro)-(mu-2-oxalato)-bis(aqua-trifluro-hafnium(iv)) dihydrate) (YEWJAL)
1988 (JSmol) -126.8 -130.2 31.3 28.9 tris(Diethyl ether)-lithium hexamethyl-tantalum(v) (POZHUH)
1989 (JSmol) -319.0 -189.8 20.9 25.8 tris(Guanidinium) tetrakis(peroxo)tantalum(v) (ABUNOB)
1995 (JSmol) -844.2 -864.2 31.0 25.7 Betainium hexafluoro-tantalum(iv) dihydrate (CEYCEO)
1996 (JSmol) -839.7 -840.0 37.3 31.4 Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
1998 (JSmol) -1479.4 -1414.8 10.1 30.3 Trityl hexakis(pentafluorophenoxy)-tantalum (QINKON)
1999 (JSmol) -36.1 -48.9 24.3 20.6 (cryptand)-sodium tris(1,2,3-h-cycloocta-1,3,5-trienyl)-tantalum (OGISAY)
2001 (JSmol) -178.9 -170.9 21.9 10.5 15-Crown-5-sodium hexakis(phenylthiolato-S)-tantalum (KIGGEM)
2003 (JSmol) -456.2 -398.4 18.7 22.4 tetrakis(2,2,6,6-Tetramethylheptane-3,5-dionato)-tantalum(v) hexachlorotantalate (QAQPAA)
2006 (JSmol) -606.7 -539.3 9.9 15.5 18-Crown-6 oxonium hexachloro-tantalum(v) (TEDYUW)
2009 (JSmol) -489.0 -471.8 -736.8 52.9 42.7 Tantalum(v) pentoxide (Ta2O5) (ICSD 95462)
2014 (JSmol) -241.6 -97.2 19.1 25.8 (Diethyl ether)-lithium heptamethyl-tungsten (RETNEJ)
2015 (JSmol) -140.9 -184.0 -211.9 22.9 18.1 Tungsten dioxide (WO2) (ICSD 80829)
2016 (JSmol) -201.4 -196.9 -187.9 15.6 26.6 Tungsten(vi) trioxide (WO3)
2017 (JSmol) -289.7 -248.0 21.1 39.8 Tungsten(vi) oxide hydrate (H2WO4) (ICSD 201806)
2018 (JSmol) -287.9 -248.6 21.2 38.4 Tungstic acid (tungstite) (H2WO4) (ICSD 2110209)
2019 (JSmol) -336.3 -324.0 -333.5 58.3 31.6 Tungsten oxide tetrafluoride (WOF4) (ICSD 10393)
2021 (JSmol) -369.2 -341.6 -382.8 27.0 37.1 Disodium tungstate (Na2WO4)
2022 (JSmol) -362.3 -346.8 -258.4 19.4 36.5 Magnesium tungstate (MgWO4)
2023 (JSmol) -218.9 -218.9 11.6 17.9 Tetramethylammonium chloro-pentacarbonyl-tungsten (CPECOW)
2025 (JSmol) -186.5 -183.3 -190.4 25.0 23.2 Tungsten chloride oxide (WO2Cl2) (ICSD 28510)
2026 (JSmol) -620.6 -613.2 13.4 22.4 Dichloro-oxo-(N,N',N''-trimethyl-1,4,7-triazacyclononane-N,N',N'')-tungsten(v) hexafluorophosphate (DIBVEP)
2027 (JSmol) -160.4 -183.4 -164.7 43.1 56.2 Tungsten oxide tetrachloride (WOCl4) (ICSD 25519)
2029 (JSmol) -366.3 -430.8 7.4 49.6 Dipotassium tungstate (K2WO4)
2030 (JSmol) -401.3 -351.9 25.4 67.0 Scheelite (CaWO4)
2031 (JSmol) -276.1 -283.2 -391.3 14.5 23.5 Ferberite (FeWO4)
2032 (JSmol) -269.7 -259.6 -174.1 16.7 59.0 Nickel(ii) tungstate (NiWO4) (ICSD 15852)
2033 (JSmol) -264.1 -267.0 -164.5 18.1 66.7 Copper(ii) tungstate (CuWO4) (ICSD 84558)
2034 (JSmol) -288.6 -233.1 15.5 24.0 Zinc tungstate (ZnWO4)
2037 (JSmol) -563.9 -541.9 19.1 23.1 18-Crown-6 hydroxonium clathrate aqua-oxo-tetrabromo-tungsten (NANQEY)
2039 (JSmol) -392.4 -426.4 24.2 70.7 Strontium tungstate (SrWO4) (ICSD 155425)
2040 (JSmol) -132.1 -1712.5 64.3 97.8 Silver tungstate (Ag2WO4) (ICSD 1802521)
2041 (JSmol) -134.5 -127.8 14.0 16.3 Tricarbonyl-(h5-(2-(trimethylammonio)ethyl)cyclopentadienyl)-iodo-tungsten(ii) iodide (LIMZIR)
2042 (JSmol) -715.7 -764.0 38.9 50.3 Cesium hexafluoro-2,2,2-trifluoroethoxy-tungsten(vi) acetonitrile solvate (JONCAQ)
2043 (JSmol) -378.4 -572.0 3.5 67.5 Barium tungstate (BaWO4) (ICSD 23702)
2045 (JSmol) -871.1 -964.1 43.2 23.2 (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
2046 (JSmol) -710.0 -637.7 4.4 17.1 ZrW2O8
2048 (JSmol) -1416.8 -1129.9 10.4 45.9 Dodecahydroxo-dodecatungstate henicosahydrate (W4O21H18)
2049 (JSmol) -3309.8 -2567.6 3.6 24.5 Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
2053 (JSmol) -1318.9 -1351.1 22.7 22.5 tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
2058 (JSmol) -396.1 -334.7 12.5 28.1 bis(a,a'-Dithio-bis(formamidinium)) dichloride hexachloro-rhenium(iv) trihydrate (DEBJOJ)
2059 (JSmol) -254.0 -164.5 11.2 24.5 tris(Tetrachlorocatecholato-O,O')-rhenium(vi) anisole solvate (FEGFUS)
2062 (JSmol) -14.1 -85.4 15.2 18.5 tetrakis(Terpyridinium) bis(aqua-tetrabromo-oxo-rhenate(v)) hexabromo-rhenate(iv) tetrabromide dihydrate (MIGDUC)
2063 (JSmol) -116.5 -19.6 16.9 20.5 trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
2065 (JSmol) -296.4 -285.8 -193.7 23.2 23.6 Rhenium(vii) oxide (Re2O7) (ICSD 15217)
2066 (JSmol) -742.5 -639.7 27.4 32.8 Hexacarbonyl-rhenium(i) (mu-2-fluoro)-bis(pentafluoro-rhenium(v)) (FUZJOZ)
2069 (JSmol) -94.2 -76.1 -147.8 17.9 36.8 Osmium(viii) tetroxide (OsO4)
2070 (JSmol) -159.2 -257.6 28.1 22.3 Tetramethylammonium fluorotetraoxoosmate (XAKBUG)
2074 (JSmol) -261.1 -248.1 25.5 24.5 tetrakis(mu-2-Acetato)-dichloro-di-osmium (COHNUI)
2076 (JSmol) -361.1 -225.8 24.2 15.4 mu-2-Pyrazine-N,N')-decakis(ammine)-di-osmium(iii) hexachloride dihydrate (DOBGEG)
2080 (JSmol) -705.6 -672.9 12.0 31.8 Di-potassium dioxo-bis(oxalato-O,O')-osmium(vi) dihydrate (BOGPOD)
2082 (JSmol) -91.5 -84.1 14.7 22.6 trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
2083 (JSmol) -221.6 -220.1 26.8 33.3 trans-bis(Acetylacetonato)-dibromo-osmium (RILRUZ)
2085 (JSmol) -312.0 -347.0 21.8 30.3 Dibromo-tetrakis(dimethyl sulfoxide-S)-osmium(ii) (SAWZAR)
2087 (JSmol) -206.5 -136.8 8.4 13.2 Tribromo-nitrosyl-diethylsulfido-(diethylsulfoxide-O)-osmium(ii) (SOGYAO)
2093 (JSmol) -318.2 -332.8 11.6 14.8 Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
2095 (JSmol) -74.1 -37.1 15.9 12.5 trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
2098 (JSmol) -127.4 -120.9 10.3 12.4 bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
2099 (JSmol) 67.2 27.5 21.1 25.5 Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
2100 (JSmol) -306.8 -313.6 22.4 19.8 fac-Cesium trichloro-tricarbonyl-osmium(ii) (PENJOO)
2104 (JSmol) -65.5 -69.9 -1091.6 11.2 91.8 Iridium(iv) dioxide (IrO2) (ICSD 81028)
2105 (JSmol) -103.7 -149.5 15.7 82.9 Dicarbonyl-(acetylacetonato-O,O')-iridium(i) (ACRHCO02)
2106 (JSmol) -454.2 -453.2 11.5 10.2 bis((Hexa-ammine)-iridium(iii)) trioxalate tetrahydrate (XEDNID)
2107 (JSmol) -514.9 -421.3 13.7 16.1 tris((R,R)-trans-1,2-Cyclohexanediamine-N,N')-iridium(iii) trinitrate trihydrate (ZEDKIC)
2110 (JSmol) -445.8 -505.3 19.4 25.2 Sodium hexanitroiridate (Na3Ir(NO3)6 (ICSD 39572)
2127 (JSmol) -769.1 -837.8 15.8 73.7 hexakis(mu-2-Acetato)-triaqua-(mu-3-oxo)-tri-iridium(iii,iii,iv) dinitrate (ZULRUT)
2129 (JSmol) -347.0 -314.8 17.3 17.7 bis(Guanidinium) bis(oxalato)-platinum(ii) (AJESEN)
2133 (JSmol) -478.3 -441.0 21.9 32.8 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2136 (JSmol) -285.6 -197.6 14.3 11.2 bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
2141 (JSmol) -187.1 -153.2 20.4 22.9 Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
2144 (JSmol) -2801.4 -2625.7 11.1 20.5 bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
2146 (JSmol) -544.1 -499.8 8.5 48.0 Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
2148 (JSmol) -272.7 -770.2 28.0 68.2 bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
2157 (JSmol) 36.2 4.8 47.2 31.7 tetrakis((mu-2-Hydroxo)-dimethyl-gold) (DMAUHT)
2158 (JSmol) -46.7 -57.6 36.3 61.3 bis(mu-2-Acetato)-tetramethyl-di-gold(iii) (MIRFUP)
2159 (JSmol) -24.6 -41.1 14.7 19.3 Dimethyl-(acetylacetonato)-gold(iii) (XIRPAQ)
2164 (JSmol) -54.4 -84.7 12.1 68.9 bis(Azacyclohexadienylidene)-gold(i) chloride dihydrate (WEKKIG)
2165 (JSmol) -174.5 -232.5 14.3 17.9 bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
2167 (JSmol) -84.4 -87.4 34.8 33.3 Dichloro-(1,2-ethanediamine)-gold(iii) nitrate (DUBNUK)
2168 (JSmol) -64.4 -33.9 15.2 26.5 Chloro-(bis(2-aminoethyl)amido)-gold(iii) perchlorate (CAEAUC)
2170 (JSmol) -66.5 -51.2 15.4 18.7 Dichloro-(dihydroxy-di-2-pyridylmethane)-gold(iii) chloride (BATTOF)
2173 (JSmol) -209.7 -221.6 32.5 25.3 Dicycle 18-crown-6 potassium dicyano-gold (COXCUN)
2174 (JSmol) -323.7 -369.8 19.3 22.4 bis(15-Crown-5)-potassium bis(1,2-dicyanoethene-1,2-dithiolato-S,S')-gold(i) (CEBHAT)
2175 (JSmol) -338.6 -337.1 25.5 47.9 18-Crown-6 potassium dichloroaurate(i) (MUVTAY)
2181 (JSmol) -136.4 -144.5 21.3 34.3 p-Phenylenediammonium tetrabromo-gold(iii) bromide monohydrate (GEVHAR)
2182 (JSmol) -144.5 -206.3 31.6 26.1 (18-Crown-6)-rubidium tetracyano-gold(iii) (DONYUA)
2183 (JSmol) -397.2 -374.7 17.4 29.1 (18-Crown-6)-rubidium tetrachloro-gold(iii) (DONYOU)
2194 (JSmol) -21.7 -32.7 -16.7 33.9 57.6 Mercury oxide (HgO) (ICSD 15890)
2198 (JSmol) -169.1 -186.3 -215.8 10.4 19.9 Mercury(ii) sulfate (HgSO4) (ICSD 100316)
2199 (JSmol) -169.1 -186.0 -215.9 11.8 21.3 Mercury(ii) sulfate (HgSO4) (ICSD 25773)
2202 (JSmol) -333.1 -287.1 12.6 7.5 18-Crown-6-dichloro-mercury(II) (CESZOP)
2204 (JSmol) -477.6 -742.5 25.6 51.4 bis(15-Crown-5-sodium) bis(tetraselenido)-mercury (SANBAK)
2207 (JSmol) -302.1 -291.3 18.2 34.8 18-Crown-6-dibromo-mercury(II) (POLKEG)
2212 (JSmol) -642.9 -719.7 24.1 21.1 (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
2217 (JSmol) -55.4 -210.0 14.9 43.6 Mercury(ii) bisiodate (Hg(IO3)2) (ICSD 98546)
2218 (JSmol) -281.3 -260.6 17.6 25.5 18-crown-6-di-iodo-mercury(ii) (DENZUR01)
2221 (JSmol) -177.6 -200.0 -233.6 18.2 52.3 Mercury(i) sulfate (Hg2SO4) (ICSD 15005)
2224 (JSmol) -491.1 -527.6 10.1 60.1 Mercury niobate (Hg2Nb2O7) (ICSD 22226)
2228 (JSmol) -58.3 -40.5 -100.5 19.2 59.2 Thallium(i) nitrate (TlNO3)
2235 (JSmol) -191.0 -182.0 26.2 52.2 Dichloro-(18-crown-6)-thallium tetrachloro-thallate (XORQIE)
2241 (JSmol) -597.5 -585.6 18.0 54.0 bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
2243 (JSmol) -407.4 -618.6 10.7 34.0 bis(2,2,2-Crypt-potassium) dithallium-ditellurium ethylenediamine solvate (BAKYIV)
2244 (JSmol) -1222.9 -1783.5 7.8 32.8 bis(Mesitylene)-thallium tetrateflate-boron (FIVCOC)
2246 (JSmol) -124.9 -171.1 20.1 28.7 (18-Crown-6)-di-iodo-thallium tetra-iodo-thallium (ZEZFAL)
2247 (JSmol) -42.7 -31.3 -125.4 27.0 56.2 Thallium(i) oxide(Tl2O) (ICSD 77699)
2248 (JSmol) -167.3 -149.5 -223.4 13.9 41.8 Thallium(i) carbonate (Tl2CO3) (ICSD 4239)
2250 (JSmol) -222.7 -205.6 -281.0 24.3 44.0 Thallium(i) sulfate (Tl2SO4) (ICSD 1005224)
2251 (JSmol) -299.6 -623.3 46.3 67.5 Trithallium(i) phosphate (Tl3PO4)
2253 (JSmol) -52.3 -69.2 -85.9 22.7 19.1 Litharge (PbO)
2254 (JSmol) -66.3 -19.0 -21.6 26.3 18.6 Plattnerite (PbO2) (Rutile structure)
2255 (JSmol) -147.2 -295.0 26.2 65.2 Lead oxide hydrate (PbO2H2)
2256 (JSmol) -167.1 -183.8 -187.0 20.6 41.6 Cerussite (PbCO3)
2257 (JSmol) -108.0 -94.9 -94.3 17.6 28.9 Lead nitrate (Pb(NO3)2) (ICSD 62698)
2258 (JSmol) -683.0 -670.7 -570.3 11.6 80.4 Lead borate (PbB4O7) (ICSD 1614467)
2262 (JSmol) -461.3 -426.4 18.3 55.2 Sodium plumbate (Na6PbO4) (ICSD 21059)
2263 (JSmol) -273.8 -246.3 -268.5 18.7 12.2 Lead silicate (PbSiO3) (ICSD 250220)
2265 (JSmol) -219.9 -239.7 -221.9 15.6 59.7 Anglesite (PbSO4) (ICSD 109432)
2266 (JSmol) -280.1 -298.3 36.2 18.9 Catena-((mu-4-Ethane-1,2-disulfonato-O,O',O'',O''')-bis(mu-3-fluoro)-di-lead(ii)) (TIQGAC)
2268 (JSmol) -350.5 -354.2 23.9 27.3 18-Crown-6-dichloro-lead(ii) (NOMJUV)
2271 (JSmol) -296.6 -365.5 23.4 44.9 Calcium plumbate (Ca2PbO4) (ICSD 36629)
2272 (JSmol) -222.5 -236.3 -271.4 31.5 45.5 Crocoite (PbCrO4)
2273 (JSmol) -338.4 -386.8 28.0 30.3 Descloizite (PbZn(VO4)(OH))
2276 (JSmol) -376.0 -386.3 21.8 12.3 18-Crown-6-dibromo-lead(ii) (RUMQEV)
2277 (JSmol) -251.4 -247.0 -252.5 2.1 11.0 Wulfenite (PbMoO4)
2278 (JSmol) -504.4 -471.5 20.4 18.0 Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)
2281 (JSmol) -302.3 -323.5 11.4 33.0 18-crown-6-diiodo-lead(II) (TOJPIR)
2283 (JSmol) -281.7 -248.5 29.0 58.5 Lead tungstate (PbWO4) (ICSD 16189)
2284 (JSmol) -269.2 -259.6 2.9 48.3 Lead tungstate (PbWO4) (ICSD 81550)
2285 (JSmol) -329.3 -330.0 -351.5 28.4 13.1 Lead orthosilicate (Pb2SiO4) (ICSD 26343)
2286 (JSmol) -255.1 -276.1 13.7 34.6 Phosgenite (Pb2(CO3)Cl2)
2287 (JSmol) -338.3 -355.3 23.8 31.8 Phoenicochroite (Pb2CrO5)
2288 (JSmol) -864.9 -681.7 11.4 16.0 bis(tris(Ethylenediamine)-cobalt(iii)) catena(bis(mu-2-chloro)-heptachloro-di-lead(ii)) chloride trihydrate (ENCOPB)
2289 (JSmol) -678.8 -648.7 4.2 11.2 catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
2290 (JSmol) -172.1 -154.2 -186.7 17.6 24.1 Lead oxide (Pb3O4) (ICSD 4106)
2291 (JSmol) -283.3 -288.7 19.6 17.4 Trilead dihydroxide dioxide (Pb3O4H2)
2292 (JSmol) -620.3 -605.2 -1017.8 23.8 55.1 Lead phosphate (Pb3(PO4)2) (ICSD 14247)
2293 (JSmol) -700.5 -874.2 8.1 39.2 catena-(tetrakis(Propane-1,3-diammonium) tetrakis(mu-2-bromo)-decabromo-tri-lead(ii) dihydrate) (CAKDIB)
2294 (JSmol) -994.1 -1570.2 17.9 59.7 Pyromorphite (Pb5(PO4)3(OH))
2295 (JSmol) -1037.3 -1663.4 30.6 44.8 Pyromorphite (Pb5(PO4)3(F))
2296 (JSmol) -973.7 -1520.9 24.9 49.1 Pyromorphite (Pb5(PO4)3(Cl))
2297 (JSmol) -875.0 -873.2 35.9 44.2 Vanadinite (Pb5(VO4)3Cl)
2298 (JSmol) -659.9 -748.1 28.7 13.1 Mimetite (Pb5As3O12Cl)
2299 (JSmol) -4500.4 -29972.9 23.8 84.8 Boleite (KPb26Ag9Cu24Cl62(OH)48)
2306 (JSmol) -901.8 -837.2 20.3 24.0 catena-(tris(1,2-ethanediaminium) bis(mu-2-sulfato)-bis(mu-2-sulfato)-bis(sulfato-diaqua-di-bismuth tetrahydrate (LOHDES)
2307 (JSmol) -1499.8 -1401.3 18.9 15.4 Nona-aqua-bismuth(iii) tris(triflate) (ZEZTUT)
2308 (JSmol) -347.9 -285.6 8.7 11.0 Nitrato-pentakis(thiourea)-bismuth(iii) dinitrate monohydrate (CELJIM)
2309 (JSmol) -87.7 -76.8 -57.6 24.0 20.9 Bismuth oxychloride (BiOCl) (ICSD 74502)
2312 (JSmol) -348.0 -292.7 75.4 74.8 bis(Dichloro-(18-crown-6)-bismuth(iii)) bis(mu-2-chloro)-bis(trichloro-bismuth(iii)) (KAMWOK)
2313 (JSmol) -404.9 -382.1 12.0 27.2 catena-(bis(Ammonium 18-crown-6 (mu2-chloro)-dichloro-(mu-2-thiocyanato-S,N)-bismuth)) (VEJREH)
2317 (JSmol) -891.5 -907.5 20.1 26.2 Potassium 18-crown-6 tris(perfluorophenylthiolato)-isothiocyanato-bismuth(iii) (YULBEM)
2318 (JSmol) -575.8 -821.0 6.8 45.4 Dipotassium (pentaformato-O,O')-bismuth (CAVZUU)
2319 (JSmol) -581.6 -883.4 21.3 58.8 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)
2320 (JSmol) -87.7 -89.8 -112.7 59.6 76.3 Bismuth oxide bromide (BiOBr) (ICSD 61225)
2323 (JSmol) -196.8 -179.0 23.8 22.9 catena-((18-Crown-6)-dibromo-bismuth(iii) bis(mu-2-bromo)-dibromo-bismuth(iii)) (KOZMAN)
2325 (JSmol) -337.7 -392.1 27.5 37.5 bis(Ethylenediammonium) hexabromo-bismuth(iii) bromide monohydrate (YINDUV)
2330 (JSmol) -137.2 -135.9 -93.1 40.4 41.9 Bismuth oxide (Bi2O3) (ICSD 2374)
2332 (JSmol) -805.6 -617.5 20.0 6.3 catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
2335 (JSmol) -869.5 -1567.3 28.3 81.1 (mu-2-Dibismuthide)-diammine-bis(18-crown-6)-di-cesium ammonia solvate (SAJROL)