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 50 Antimony-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 18.84 kcal/mol, for 8 solids
Average unsigned error in PM6 HoF: 17.01 kcal/mol, for 8 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1538 (JSmol) 0.0 -14.5 -23.1 20.0 35.5 Antimony (Sb) (ICSD 651499)
1539 (JSmol) -437.8 -444.6 18.0 38.5 beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
1540 (JSmol) -218.8 -238.1 -214.8 27.9 52.5 Antimony(iii) fluoride (SbF3)
1541 (JSmol) -257.7 -242.4 14.5 32.5 (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
1542 (JSmol) -494.4 -457.0 12.2 20.4 Lithium hexafluoroantimonate (LiSbF6) (ICSD 23924)
1543 (JSmol) -382.0 -383.6 31.1 36.2 1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
1544 (JSmol) -448.6 -488.9 16.7 14.0 Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
1545 (JSmol) -23.0 -53.5 -63.0 75.0 14.6 Aluminum antimonide (AlSb)
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)
1549 (JSmol) 0.2 -8.8 21.4 16.9 tris(1-Pyrrolidinecarbodithioato)-antimony(iii) (PYCTSB)
1550 (JSmol) -55.9 -83.7 27.9 17.9 tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
1551 (JSmol) -44.7 -42.6 19.4 21.5 2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
1552 (JSmol) -91.3 -96.5 -73.9 15.0 40.1 Antimony trichloride (SbCl3) (ICSD 8258)
1553 (JSmol) -109.8 -84.2 29.1 31.7 Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
1554 (JSmol) -118.6 -84.9 19.5 19.0 Antimony(v) chloride (SbCl5)
1555 (JSmol) -117.9 -94.3 23.0 18.6 Antimony(v) pentachloride (SbCl5) (ICSD 250363)
1556 (JSmol) -136.9 -63.1 17.7 20.4 catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
1557 (JSmol) -471.4 -583.3 8.7 60.8 Potassium hexafluoroantimonate (KSbF6) (ICSD 632)
1558 (JSmol) -120.9 -124.8 9.8 12.3 Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
1559 (JSmol) -62.0 -70.7 -59.8 40.6 29.2 Antimony(iii) bromide (SbBr3)
1560 (JSmol) -81.0 -102.6 21.9 42.1 catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
1561 (JSmol) -43.9 -60.7 23.6 31.2 (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
1562 (JSmol) -457.5 -626.2 42.8 60.4 Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
1563 (JSmol) -309.3 -334.3 32.2 64.7 Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
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)
1568 (JSmol) -51.1 -75.0 50.4 26.5 Stibnite (Sb2S3)
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)
1571 (JSmol) -65.1 -59.8 13.2 9.1 bis(Dimethyldibromo-antimony)methane (CEHGAX)
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)
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)
1641 (JSmol) -21.8 -32.4 38.1 20.6 Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
1675 (JSmol) -44.2 -60.9 21.5 10.4 catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
1702 (JSmol) -24.0 -18.0 -32.8 37.2 40.0 Antimony(iii) iodide (SbI3)
1703 (JSmol) -21.0 -1.2 18.7 67.7 (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
1718 (JSmol) -74.5 -83.5 28.2 40.6 bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
1739 (JSmol) -459.9 -283.6 31.8 76.8 Trifluoroxenon(IV) hexafluoroantimonate (XeF3SbF6) (ICSD 6034)
1761 (JSmol) -476.3 -550.4 33.9 62.0 Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
1762 (JSmol) -450.9 -579.1 35.4 51.5 Cesium hexafluoroantimonate (CsSbF6) (ICSD 201886)
1815 (JSmol) -512.4 -903.9 11.4 65.2 BaSbF5
2278 (JSmol) -504.4 -471.5 20.4 18.0 Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)