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 34 Vanadium-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 9.20 kcal/mol, for 6 solids
Average unsigned error in PM6 HoF: 110.14 kcal/mol, for 6 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
758 (JSmol) 0.0 1.7 -263.8 3.2 93.5 Vanadium (V) (ICSD 171003) bcc
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)
761 (JSmol) -160.9 -118.4 57.4 27.4 Vanadium(ii) difluoride (VF2)
762 (JSmol) -184.4 -171.2 29.0 27.6 catena-((mu-2-4,4'-Bipyridine)-(mu-2-fluoro)-difluoro-vanadium(iii)) (UDISIK)
763 (JSmol) -335.4 -333.5 -289.0 64.6 17.6 Vanadium (iv) tetrafluoride (VF4) (ICSD 65785)
764 (JSmol) -423.3 -370.8 67.2 18.6 Vanadium(V) pentafluoride (VF5)
765 (JSmol) -479.8 -449.8 16.0 29.6 Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
766 (JSmol) -672.8 -793.6 15.6 77.3 Sodium hexafluorovanadate(iii) (Na3VF6) (ICSD 27347)
767 (JSmol) -975.3 -949.5 15.9 14.2 bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
768 (JSmol) -43.6 -16.1 44.8 40.7 tris(Dithiolene)-vanadium(iv) (NAMPOG)
769 (JSmol) -145.0 -134.4 -69.5 31.2 57.1 Vanadium(iii) oxychloride (VOCl) (ICSD 1981)
770 (JSmol) -99.2 -49.2 51.5 36.1 Vanadium(ii) dichloride (VCl2)
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)
773 (JSmol) -138.8 -140.5 -79.3 30.2 52.4 Vanadium(iii) trichloride (VCl3) (ICSD 1902637)
774 (JSmol) -360.9 -263.3 22.7 13.4 bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
775 (JSmol) -560.3 -477.8 30.0 18.2 Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
776 (JSmol) -297.8 -303.0 8.3 5.7 Potassium hexachlorovanadate(iv) (K2VCl6) (ICSD 1712440)
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)
1015 (JSmol) -187.0 -131.7 18.2 15.2 hexakis(Acetonitrile)-vanadium(ii) tetrachloro-zinc (CUPYER)
1076 (JSmol) -738.3 -740.1 18.3 22.6 bis((h5-Cyclopentadienyl)-(mu-2-fluoro)-(pentafluoro-arsenic))-vanadium(iv) (VUFFIL)
1140 (JSmol) -113.7 -94.5 29.1 26.3 Vanadium(ii) dibromide (VBr2)
1141 (JSmol) -130.2 -97.6 4.9 11.2 tetrakis(mu-2-Bromo)-bis((h5-ethyltetramethyl-cyclopentadienyl)-vanadium(iii)) (NAJXUR)
1183 (JSmol) -122.4 -209.2 13.2 31.9 trans-Dibromo-tetrakis(acetonitrile-N)-vanadium(iii) tribromide (DUSGED)
1216 (JSmol) -207.6 -207.3 8.5 19.8 Rubidium tribromovanadate(ii) (RbVBr3) (ICSD 201836)
1653 (JSmol) 18.9 -147.5 54.0 38.4 Vanadium(ii) diiodide (VI2)
1687 (JSmol) -502.7 -448.6 15.9 17.4 hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
1694 (JSmol) -42.6 -171.0 42.3 11.5 Rubidium triiodovanadate(ii) (RbVI3) (ICSD 26455)
1755 (JSmol) -911.6 -898.6 10.1 29.6 Tetramethylammonium cesium (mu-2-fluoro)-aqua-heptafluoro-dioxo-di-vanadium (SARLUS)
2273 (JSmol) -338.4 -386.8 28.0 30.3 Descloizite (PbZn(VO4)(OH))
2297 (JSmol) -875.0 -873.2 35.9 44.2 Vanadinite (Pb5(VO4)3Cl)