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 48 Lead-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 21.49 kcal/mol, for 20 solids
Average unsigned error in PM6 HoF: 59.34 kcal/mol, for 20 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
2252 (JSmol) 0.0 37.2 -123.8 31.8 60.9 Lead (Pb) (ICSD 77863)
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)
2259 (JSmol) -158.7 -312.3 45.6 51.3 Lead(ii) fluoride (PbF2)
2260 (JSmol) -225.1 -190.4 -370.2 22.5 72.2 Lead(iv) tetrafluoride (PbF4) (ICSD 16795)
2261 (JSmol) -384.5 -376.0 42.7 37.9 bis((mu-2-Tetrafluoroborato-F,F')-(nu-5-pentamethyl-cyclopentadienyl))-lead (VALVOT)
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)
2264 (JSmol) -24.0 9.2 -24.8 41.7 5.3 Galena (PbS)
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)
2267 (JSmol) -85.9 -61.4 -71.1 46.1 3.5 Lead(ii) chloride (PbCl2)
2268 (JSmol) -350.5 -354.2 23.9 27.3 18-Crown-6-dichloro-lead(ii) (NOMJUV)
2269 (JSmol) -2.1 -34.0 27.8 19.2 Lead(iv) tetrachloride (PbCl4) (ICSD 280975)
2270 (JSmol) -117.2 -169.2 20.5 66.5 catena-(3,3'-Dichlorobenzidinedi-ium bis(mu-3-chloro)-bis(mu-2-chloro)-dichloro-di-lead(ii)) (COCPAM)
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))
2274 (JSmol) -17.1 -723.2 0.9 97.1 Lead selenide (PbSe) (ICSD 648528)
2275 (JSmol) -66.6 -51.8 -55.4 14.6 52.1 Lead(ii) bromide (PbBr2)
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)
2279 (JSmol) -16.9 -2.9 -27.5 22.7 58.6 Lead telluride (PbTe) (ICSD 648616)
2280 (JSmol) -41.9 -30.0 -52.9 0.5 57.8 Lead(ii) iodide (PbI2)
2281 (JSmol) -302.3 -323.5 11.4 33.0 18-crown-6-diiodo-lead(II) (TOJPIR)
2282 (JSmol) -78.2 -87.2 9.9 14.8 Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
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)