Time stamp: Thu Mar 11 08:55:57 2021
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 52 Antimony-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray
(All solids - Periodic Table - Home - Accuracy - Manual)
Average unsigned error in PM7 HoF: 18.37 kcal/mol, for 8 solids
Average unsigned error in PM6-D3H4 HoF: 17.79 kcal/mol, for 8 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6-D3H4 PM7 PM6-D3H4
1609 (JSmol) -592.6 -612.4 20.1 34.7 (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
1610 (JSmol) -264.7 -248.1 31.9 32.2 (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
1611 (JSmol) -387.9 -383.5 34.2 36.9 1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
1612 (JSmol) -44.9 -47.6 19.4 27.4 2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
1613 (JSmol) -23.0 -65.8 83.0 14.7 Aluminum antimonide (AlSb)
1614 (JSmol) 0.0 -16.0 -23.4 19.3 35.6 Antimony (Sb) (ICSD 651499)
1615 (JSmol) -91.3 -96.4 -77.9 14.6 39.0 Antimony trichloride (SbCl3) (ICSD 8258)
1616 (JSmol) -218.8 -239.4 -219.5 27.6 52.5 Antimony(iii) fluoride (SbF3)
1617 (JSmol) -116.6 -91.4 19.5 19.1 Antimony(v) chloride (SbCl5)
1618 (JSmol) -118.1 -102.1 23.6 17.8 Antimony(v) pentachloride (SbCl5) (ICSD 250363)
1619 (JSmol) -494.5 -464.8 22.7 27.9 Lithium hexafluoroantimonate (LiSbF6) (ICSD 23924)
1620 (JSmol) -474.5 -599.8 27.5 64.9 Potassium hexafluoroantimonate (KSbF6) (ICSD 632)
1621 (JSmol) -451.6 -575.8 13.4 67.9 Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
1622 (JSmol) -111.2 -76.0 26.4 34.9 Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
1623 (JSmol) -475.6 -472.5 39.7 40.1 beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
1624 (JSmol) -484.0 -416.5 31.9 42.7 bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
1625 (JSmol) -410.1 -515.2 43.9 31.2 catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
1626 (JSmol) -168.0 -92.2 24.4 20.4 catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
1627 (JSmol) 9.2 -18.6 17.0 14.9 tris(1-Pyrrolidinecarbodithioato)-antimony(iii) (PYCTSB)
1628 (JSmol) -58.8 -89.6 19.2 16.8 tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
1629 (JSmol) -122.4 -119.5 14.0 13.5 Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
1630 (JSmol) -62.0 -68.4 -65.4 40.4 30.8 Antimony(iii) bromide (SbBr3)
1631 (JSmol) 99.6 -11.8 14.3 46.6 (1,10-phenanthroline)-tetrabromo-antimony(iii) 1,10-phenanthroline (DOSXUF)
1632 (JSmol) -84.9 -122.5 30.8 36.2 catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
1633 (JSmol) -48.8 -106.4 21.8 30.6 (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
1634 (JSmol) -457.5 -627.4 44.9 60.5 Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
1635 (JSmol) -309.6 -337.4 39.6 65.5 Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
1636 (JSmol) -1064.8 -1097.2 15.9 16.5 (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
1637 (JSmol) -471.0 -440.3 44.6 52.2 (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
1638 (JSmol) -622.1 -539.4 35.8 35.3 Antimony sulfate (Sb2(SO4)3) (ICSD 618)
1639 (JSmol) -232.3 -216.0 -273.1 39.7 16.4 Antimony(v) pentoxide (Sb2O5) (ICSD 1422)
1640 (JSmol) -173.3 -250.3 73.5 46.2 Antimony(v) pentoxide (Sb4O10) (ICSD 31104)
1641 (JSmol) -829.1 -862.9 31.5 45.4 Di-potassium bis(tartrato)-di-antimony trihydrate (DKSBTR)
1642 (JSmol) -51.1 -82.5 50.4 30.7 Stibnite (Sb2S3)
1643 (JSmol) -883.1 -913.8 21.9 16.7 bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
1644 (JSmol) -59.4 -50.4 13.3 8.9 bis(Dimethyldibromo-antimony)methane (CEHGAX)
1645 (JSmol) -1013.4 -987.3 15.1 15.1 Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
1646 (JSmol) -338.8 -354.0 -341.1 38.7 19.2 Antimony(iii) trioxide (Sb4O6) (ICSD 16851)
1647 (JSmol) -829.0 -856.1 34.7 33.9 Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
1648 (JSmol) -1112.1 -894.5 27.1 33.7 tris(18-Crown-6 Diammine potassium) undeca-antimonide ammonia solvate (DELHAE)
1668 (JSmol) -456.5 -502.5 31.5 29.2 (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
1669 (JSmol) -503.3 -542.3 23.9 20.8 bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
1714 (JSmol) -22.0 -37.2 37.0 22.3 Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
1748 (JSmol) -37.7 -55.6 28.2 11.1 catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
1775 (JSmol) -22.3 -36.1 21.2 77.5 (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
1776 (JSmol) -24.0 -13.1 -39.5 37.0 40.2 Antimony(iii) iodide (SbI3)
1791 (JSmol) -82.9 -55.9 30.0 43.6 bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
1813 (JSmol) -482.4 -291.2 58.5 83.1 Trifluoroxenon(IV) hexafluoroantimonate (XeF3SbF6) (ICSD 6034)
1835 (JSmol) -483.2 -561.4 35.6 61.8 Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
1836 (JSmol) -453.8 -583.6 35.8 51.1 Cesium hexafluoroantimonate (CsSbF6) (ICSD 201886)
1890 (JSmol) -515.6 -911.8 14.7 65.3 BaSbF5
2334 (JSmol) -506.0 -495.0 21.9 18.4 Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)