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 183 Phosphorus-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray
(All solids - Periodic Table - Home - Accuracy - Manual)
Average unsigned error in PM7 HoF: 20.57 kcal/mol, for 27 solids
Average unsigned error in PM6-D3H4 HoF: 73.55 kcal/mol, for 27 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6-D3H4 PM7 PM6-D3H4
445 (JSmol) -9.4 -20.2 62.7 26.9 Phosphorus, black (P) (ICSD 36438)
446 (JSmol) 0.0 -3.3 1.5 33.0 24.8 Phosphorus, white (P) (ICSD 406793)
447 (JSmol) -23.1 -21.8 53.2 31.0 Tetramethyldiphosphane (KAKGEI)
448 (JSmol) 0.9 0.0 20.2 22.2 1,8-bis(tris(Dimethylamino)phosphoranylideneamino)naphthalene
449 (JSmol) -70.9 -83.0 11.8 18.9 Tetramethyl-tetra-aza-diphosphabicyclooctane-3,7-dione (BAMWUH)
450 (JSmol) -296.9 -273.1 24.7 37.2 catena-Lithium phosphate (LiPO3) (ICSD 1121553)
451 (JSmol) -500.9 -471.8 -419.3 28.6 38.6 Lithiophosphate (Li3PO4)
452 (JSmol) -307.0 -289.1 -287.2 15.9 34.0 Phosphoric acid (H3PO4)
453 (JSmol) -273.7 -337.9 27.4 24.7 Ammonium dihydrogenphosphate (NH4 H2PO4)
454 (JSmol) -374.5 -357.0 -387.5 29.0 36.7 Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
455 (JSmol) -373.6 -363.4 28.2 36.3 N(Me)4H2PO4 H2O (FIJHEL)
456 (JSmol) -418.4 -426.6 25.0 25.7 DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
457 (JSmol) -768.3 -628.3 41.1 17.6 H5Be2PO7 (ICSD 1710400)
458 (JSmol) -512.1 -486.1 9.2 15.5 Phosphatidylcholine (LYPCHL)
459 (JSmol) -532.0 -520.6 21.1 21.7 Adenosine-3'-phosphate dihydrate (ADPOSD)
460 (JSmol) -382.8 -386.3 32.5 7.2 Phosphorus pentafluoride (PF5)
461 (JSmol) -563.2 -534.9 25.6 28.0 Lithium hexafluorophosphate (LiPF6) (ICSD 74830)
462 (JSmol) -367.1 -348.5 40.1 12.3 tetrakis(Trifluoromethyl)diphosphane (HIRCEQ)
463 (JSmol) -719.2 -707.4 14.4 19.9 (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
464 (JSmol) -742.4 -747.0 14.1 19.0 (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
465 (JSmol) -659.7 -788.6 52.1 39.3 (3)-((1,1'-Dimethyl-4,4'-bipyridinium)-bis(dibenzo-24-crown-8)) pseudorotaxane bis(hexafluorophosphate hydrate (HUMKUW)
466 (JSmol) -309.9 -336.0 36.4 34.7 Sodium phosphate (NaPO3) (ICSD 34693)
467 (JSmol) -466.9 -489.0 66.5 34.9 Lithium disodium phosphate (LiNa2PO4) (ICSD 69967)
468 (JSmol) -355.5 -379.4 26.5 55.5 Sodium tetrametaphosphate (NaH2PO4)
469 (JSmol) -665.7 -637.9 27.8 49.7 Stercorite (Na(NH4)HPO4 4(H2O))
470 (JSmol) -551.3 -623.0 52.6 40.8 Sodium hexafluorophosphate (NaPF6) (ICSD 1408764)
471 (JSmol) -417.8 -418.2 -446.8 37.0 43.9 Sodium Hydrogen Phosphate (Na2HPO4)
472 (JSmol) -417.8 -417.4 -444.8 35.3 39.3 Sodium hydrogen phosphate (Na2HPO4) (ICSD 81304)
473 (JSmol) -537.6 -534.9 41.9 50.7 Dorfmanite (Na2HPO4 2(H2O))
474 (JSmol) -836.9 -809.0 9.2 32.2 Disodium hydrogen orthophosphate heptahydrate (H15Na2O11P)
475 (JSmol) -481.1 -509.1 16.5 44.6 Sodium phosphate (Na3PO4) (ICSD 33718)
476 (JSmol) -590.2 -561.8 22.2 12.4 Newberyite (MgHPO4 3(H2O))
477 (JSmol) -587.9 -495.1 25.4 12.0 Wagnerite (Mg2PO4F)
478 (JSmol) -39.8 -74.8 -29.0 15.7 4.4 Aluminum phosphide (AlP)
479 (JSmol) -414.4 -391.7 -513.4 14.1 71.4 Berlinite (AlPO4)
480 (JSmol) -414.4 -380.2 -402.4 8.3 26.9 Sodalite (AlPO4)
481 (JSmol) -527.3 -572.5 22.6 31.3 Variscite (AlPO4(H2O)2)
482 (JSmol) -592.4 -550.5 18.0 38.3 Magnesium aluminum phosphate oxide (beta'') (MgAlPO4 O) (ICSD 1102532)
483 (JSmol) -359.7 -391.5 -412.5 47.3 53.5 Phosphorus(v) pentoxide (P2O5) (ICSD 82688)
484 (JSmol) -636.0 -512.2 59.1 20.7 Beryllium catena-phosphate (BeP2O6) (ICSD 100404)
485 (JSmol) -654.2 -637.9 13.2 30.1 Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
486 (JSmol) -928.3 -928.1 10.1 13.8 tris(Hydroxymethyl)-methylammonium adenosine-5'-diphosphate dihydrate (HMADPH)
487 (JSmol) -1039.6 -1020.5 14.4 16.6 Nicotinamide adenine dinucleotide tetrahydrate (CEVYEH11)
488 (JSmol) -799.9 -951.2 38.3 78.1 Sodium phosphate (Na4P2O7) (ICSD 10370)
489 (JSmol) -801.3 -751.2 27.3 43.8 Magnesium hypophosphite hydrate (Mg(H2PO2)2 6(H2O))
490 (JSmol) -1030.1 -941.0 20.0 26.2 tetrakis(Urea) bis(dihydrogen phosphate) magnesium (BORTAD)
491 (JSmol) -827.0 -879.0 17.5 30.1 catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
492 (JSmol) -895.1 -885.7 -701.6 37.4 14.5 Farringtonite (Mg3(PO4)2)
493 (JSmol) -1401.4 -1298.7 23.5 17.8 Bobierrite Mg3(PO4)2(H2O)8
494 (JSmol) -2404.4 -2309.9 28.1 34.4 Magnesium phosphate hydrate (Mg3(PO4)2 22(H2O))
495 (JSmol) -1776.1 -1492.2 18.8 13.1 Raadeite (Mg7(PO4)2(OH)8)
496 (JSmol) -1216.8 -1352.0 28.8 13.2 Brazilianite (NaAl3(PO4)2(OH)4)
497 (JSmol) -26.4 -39.8 21.2 19.2 4-Methyl-triphosphatricycloheptane (FATYUU)
498 (JSmol) -474.4 -527.1 29.4 21.6 (1-(tris(dimethylamino)phosphoranylideneammonium)-8-(tris(dimethylamino)phosphoranylideneamino)naphthalene) hexafluorophosphate (SAXLAF)
499 (JSmol) -823.0 -1141.2 37.8 63.7 Sodium trimetaphosphate (Na2HP3O9)
500 (JSmol) -1130.5 -1197.5 19.8 29.6 Disodium adenosine-triphosphate trihydrate (ADENTP)
501 (JSmol) -53.0 -68.1 31.1 25.9 Tetraphosphabicyclooctane (XEYZEG)
502 (JSmol) -457.7 -417.5 11.8 25.0 Phosphorus(iii) trioxide (P4O6) (ICSD 24407)
503 (JSmol) -719.4 -689.4 -796.6 18.7 66.2 Phosphorus(v) pentoxide (P4O10) (ICSD 40865)
504 (JSmol) -1504.8 -1385.2 29.3 29.4 Tetralithium Tetrametaphosphate Pentahydrate (Li4P4O12 5(H2O))
505 (JSmol) -1973.7 -1636.6 51.1 20.0 catena-(Hexane-1,6-diammonium bis(mu-4-phosphato)-bis(mu-3-hydrogen phosphato)-bis(hydroxy)-tetra-beryllium monohydrate) (ACOKUZ)
506 (JSmol) -1366.7 -1595.3 40.6 57.8 NaPO3 H2O
507 (JSmol) -1375.0 -1561.2 38.4 80.1 Sodium cyclooctaphosphate hexahydrate (Na8P8O24 6(H2O))
508 (JSmol) -141.7 -37.6 25.7 33.0 bis(2,6-bis((Dimethylphosphino)methyl)phenyl)-magnesium benzene solvate (YESVIB)
509 (JSmol) -1773.5 -1690.0 33.0 32.1 Mg5Na2P4O16
510 (JSmol) -1753.3 -1592.9 33.9 25.5 Hexa(lithium phosphate) (Li6(P6O18)) (ICSD 1414858)
511 (JSmol) -1735.4 -1597.5 28.7 33.0 Lithium cyclohexaphosphate (Li6(P6O18))
557 (JSmol) -38.0 -60.6 8.3 11.9 Tetramethyl diphosphine disulfide (TMDPDS)
558 (JSmol) -465.6 -466.6 16.2 26.1 4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
575 (JSmol) -37.0 -41.6 -116.8 27.5 18.7 Phosphorus sulfide (P4S3) (ICSD 417154)
576 (JSmol) -64.6 -117.1 40.4 16.9 Trithia-tetraphosphatricycloheptane (ZEGSUZ01)
623 (JSmol) -173.6 -159.0 30.7 30.3 Tetramethylphosphonium chloride monohydrate (MIYHEH)
651 (JSmol) -97.4 -79.1 28.9 26.3 Phosphorus trichloride (PCl3)
656 (JSmol) -106.0 -110.3 -96.1 32.5 20.5 Phosphorus pentachloride (PCl5)
657 (JSmol) -247.7 -196.2 36.6 15.9 2,4,4,6,6-Pentachloro-2-(piperidyl)cyclotriphosphazene (POTKEO)
687 (JSmol) -294.2 -309.6 27.9 12.1 Potassium cyclo-hexaphosphate (KPO3)
688 (JSmol) -347.5 -351.9 28.0 28.1 KPO3 2(H2O)
689 (JSmol) -374.8 -347.5 -344.9 21.8 19.5 Potassium dihydrogenphosphate (KH2PO4) (ICSD 87895)
690 (JSmol) -573.5 -648.9 28.8 29.1 Potassium hexafluorophosphate (KPF6) (ICSD 1616491)
691 (JSmol) -799.6 -788.7 22.6 19.8 Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
692 (JSmol) -909.8 -989.2 50.2 23.5 Disodium potassium cyclo-triphosphate (Na2KP3O9) (ICSD 2346)
693 (JSmol) -883.5 -981.4 51.0 30.6 Sodium potassium trimetaphosphate (Na2KP3O9)
718 (JSmol) -466.1 -446.9 -526.4 11.2 21.7 Potassium phosphate (K3PO4) (ICSD 158801)
720 (JSmol) -1389.7 -1407.6 29.4 29.9 Tetrapotassium tetrametaphosphate tetrahydrate (K4H8P4O16)
748 (JSmol) -653.0 -550.1 21.7 14.8 Herderite (CaBe(PO4)F(OH))
749 (JSmol) -653.0 -550.0 22.3 13.2 Hydroxylherderite (CaBe(PO4)(OH))
750 (JSmol) -725.7 -678.7 27.5 24.7 Calcium bis(dihydrogenphospate) (CaH4P2O8)
754 (JSmol) -1405.4 -1317.6 21.9 22.1 Woodhouseite CaAl3(PO4)(SO4)(OH)6
769 (JSmol) -787.0 -732.8 19.7 17.9 Calcium phosphate (Ca2P2O7) (ICSD 22225)
777 (JSmol) -987.6 -975.0 -892.7 26.9 27.8 Tricalcium bisphosphate (Ca3(PO4)2) (ICSD 200202)
778 (JSmol) -2014.0 -1820.2 22.6 7.9 Calcium phosphate (Ca4P6O19)
781 (JSmol) -1586.9 -1455.0 15.6 15.7 Hydroxylapatite (Ca5(PO4)3(OH))
782 (JSmol) -1609.3 -1451.4 16.0 15.9 Fluorapatite (Ca5(PO4)3F)
783 (JSmol) -1602.7 -1441.3 15.8 18.1 Chlorapatite (Ca5(PO4)3Cl)
789 (JSmol) -564.3 -432.1 26.8 42.0 catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
842 (JSmol) -361.0 -254.3 23.2 14.5 bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
843 (JSmol) -558.7 -487.6 29.0 18.3 Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
904 (JSmol) -77.4 -117.7 11.7 9.3 Methyltriphenylphosphonium permanganate (MEPHMN01)
905 (JSmol) -990.4 -789.7 42.1 46.2 Manganese(ii) tetraphosphate (MnP4O11) (ICSD 4282)
916 (JSmol) -744.9 -755.7 -383.4 45.0 21.1 Manganese phosphate (Mn3(PO4)2) (ICSD 1322074)
931 (JSmol) -352.6 -520.3 59.9 64.9 Fe(iii)PO4
968 (JSmol) -206.7 -27.9 10.4 94.7 bis((Cyclopentadienyl)-(dimethylphosphido)-cobalt) (DAFZAL)
969 (JSmol) -490.7 -422.2 10.8 42.9 Decamethyl-cobaltocenium hexafluorophosphate (DIMJIS01)
973 (JSmol) -274.6 -118.0 55.6 87.3 Dichloro-nitrosyl-bis(trimethylphosphine)-cobalt (FALTER)
974 (JSmol) -419.1 -155.4 14.1 77.6 Chloro-tris(trimethylphosphine)-cobalt(i) (BUTDEZ)
1000 (JSmol) -690.7 -744.9 12.8 22.5 Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
1036 (JSmol) -2538.1 -.- 43.9 -.- Turquoise (CuAl6(PO4)4(OH)8 5(H2O))
1088 (JSmol) -454.6 -420.1 21.9 9.8 Tarbuttite (Zn2(PO4)(OH))
1089 (JSmol) -1537.0 -1521.3 21.6 19.3 Zinc cyclooctaphosphate hydrate (Zn2P4O12 9(H2O))
1096 (JSmol) -725.2 -1062.4 14.1 43.0 catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
1101 (JSmol) -854.8 -1824.9 18.2 76.2 catena-((mu-6-Ethylenediphosphonato)-trans-bis(mu-2-fluoro)-diaqua-di-gallium monohydrate) (XUWVEQ)
1183 (JSmol) -30.5 -51.1 -29.9 16.3 25.3 Phosphonium bromide (PH4Br) (ICSD 031149)
1184 (JSmol) -30.5 -51.1 -29.9 15.5 23.7 Phosphonium bromide (PH4Br) (ICSD 1622038)
1233 (JSmol) -109.6 -133.0 -121.7 33.1 31.7 Phosphoric tribromide (POBr3) (ICSD 1100034)
1252 (JSmol) -64.5 -85.1 -124.7 30.0 24.3 Phosphorus(v) pentabromide (PBr5) (ICSD 22140)
1271 (JSmol) -249.9 -179.8 27.8 32.0 Rubidium dihydrogenphosphate (RbH2PO4) (250131)
1293 (JSmol) -477.0 -391.7 50.4 54.1 Rubidium phosphate (Rb3PO4) (ICSD 161677)
1308 (JSmol) -1417.1 -1776.6 30.0 53.5 catena-((Ethylenediammonium) tetra-aqua-octaoxo-tetraoxa-tetraphosphacyclo-octane-strontium monohydrate) (VABFEJ)
1320 (JSmol) -797.9 -1252.8 44.4 66.1 Strontium phosphate (Sr2P2O7) (ICSD 31004)
1321 (JSmol) -988.4 -1448.5 30.4 62.0 Strontium phosphate (Sr3(PO4)2) (ICSD 410784)
1322 (JSmol) -1594.2 -2278.1 32.5 64.0 Strontium chlorapatite (Sr5(PO4)3Cl) (ICSD 1404651)
1327 (JSmol) -408.2 -456.1 29.5 53.9 Xenotime (YPO4)
1339 (JSmol) -870.4 -896.1 24.6 25.0 hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
1372 (JSmol) -836.4 -841.5 24.4 21.3 bis(h5-Cyclopentadienyl)-(2,2'-bipyridyl-N,N')-niobium bis(hexafluorophosphate) (VOSXUW)
1373 (JSmol) -890.9 -906.2 21.7 24.3 catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
1374 (JSmol) -568.2 -410.7 15.3 24.0 tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidin-1-yl)-niobium(v) hexafluorophosphate (POFHUO)
1385 (JSmol) -609.9 -532.4 42.5 44.3 Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
1408 (JSmol) -400.0 -475.4 18.5 26.4 bis(p-Cyclopentadienyl)hydroxy-methylamino molybdenum(iv) hexafluorophosphate (CHAMOF)
1428 (JSmol) -448.9 -494.4 31.6 35.0 trans-Dichloro-tetrakis(trimethylphosphine)-technetium(iii) hexafluorophosphate (QESMOQ)
1429 (JSmol) -737.6 -785.1 15.4 11.4 tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
1434 (JSmol) -920.1 -1026.9 41.2 30.8 (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
1442 (JSmol) -670.2 25.0 29.0 79.8 cis-Difluoro-bis(1,2-bis(dimethylphosphino)ethane)-ruthenium hydrofluoride (QIWPUH)
1447 (JSmol) -769.2 -815.3 22.0 17.7 tris(2,2'-Bipyridine)-ruthenium(ii) bis(hexafluorophosphate) (BPYRUF10)
1486 (JSmol) -421.3 -856.6 74.5 87.9 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
1530 (JSmol) -691.3 -1775.1 63.4 88.8 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
1561 (JSmol) -492.8 -452.6 22.0 20.3 (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
1580 (JSmol) -831.7 -760.1 23.9 20.4 catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
1597 (JSmol) -436.6 -525.2 16.0 16.0 catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
1625 (JSmol) -410.1 -515.2 43.9 31.2 catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
1671 (JSmol) -536.7 -509.0 22.8 11.8 catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
1678 (JSmol) -1543.8 -1989.5 33.6 30.3 Tellurium phosphate (Te8O10(PO4)4) (ICSD 100151)
1679 (JSmol) 2.5 -37.7 24.9 16.3 1,2-bis(Iodo)-1,2-diphospha-acenaphthene (GUTJOU)
1680 (JSmol) -56.0 -73.3 26.1 21.8 2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
1681 (JSmol) -92.1 -130.0 20.6 22.3 4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
1693 (JSmol) -16.7 -46.5 -62.8 13.4 37.0 Phosphonium iodide (PH4I)
1723 (JSmol) -366.9 -72.1 9.2 83.2 Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
1749 (JSmol) -25.8 -161.6 40.7 42.1 1,3-di-t-butyl-2,4,5-triiodo-2,4,5-triphosphabicyclopentane iodine (BOCROB)
1756 (JSmol) -10.9 -21.7 -127.6 9.5 47.6 Phosphorus(iii) triiodide (PI3) (ICSD 311)
1780 (JSmol) -17.6 -141.6 20.6 34.1 Methyltri-iodophosphonium iodide (HEDGIG)
1783 (JSmol) -178.5 -249.4 20.7 23.5 Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
1797 (JSmol) -566.7 83.0 6.6 10.1 trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
1816 (JSmol) -351.6 -453.7 33.4 54.7 Cesium dihydrogen phosphate (CsH2PO4) (ICSD 79608)
1817 (JSmol) -546.9 -673.9 39.6 61.4 Cesium hexafluorophosphate (CsPF6) (ICSD 1703996)
1847 (JSmol) -475.1 -685.9 32.9 30.8 Cesium phosphate (Cs3PO4) (ICSD 161678)
1853 (JSmol) -614.8 -975.4 27.1 54.3 BaP2O6
1896 (JSmol) -943.4 -1570.1 31.8 68.0 Dibarium Magnesium Phosphate (Ba2MgP2O8)
1900 (JSmol) -1589.9 -2889.9 8.4 61.3 Alforsite (Ba5(PO4)3Cl)
1903 (JSmol) -1375.3 -1536.5 24.8 36.9 Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
1911 (JSmol) -496.0 -1119.4 30.8 91.9 Lanthanum phosphate (LaPO4) (ICSD 79747)
2018 (JSmol) -1046.0 -1298.5 25.6 35.6 (mu-2-1,4,7,10-Tetra-azacyclododecane-1,4,7-triacetato-10-methyl hydrogen phosphonato)-triaqua-lithium-lutetium(iii) dihydrate (LARLAS)
2031 (JSmol) -450.0 -.- 45.6 -.- Lutetium phosphate (LuPO4) (ICSD 79761)
2042 (JSmol) -51.4 -366.4 31.1 41.0 bis(h5-Pentamethyl-cyclopentadienyl)-lutetium-dimethylphosphonio-bis(methanide) (CIXTUY)
2061 (JSmol) -315.1 -381.1 24.9 41.7 Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
2092 (JSmol) -622.6 -608.4 13.7 22.8 Dichloro-oxo-(N,N',N''-trimethyl-1,4,7-triazacyclononane-N,N',N'')-tungsten(v) hexafluorophosphate (DIBVEP)
2120 (JSmol) -889.8 -986.7 31.8 23.8 (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
2125 (JSmol) -3312.1 -2633.5 5.2 24.8 Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
2137 (JSmol) -1325.3 -1327.3 18.3 24.4 tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
2144 (JSmol) -375.3 -416.5 16.8 16.5 Chloro-osmocenium hexafluorophosphate (WEHLEA)
2161 (JSmol) 50.4 -53.2 22.8 15.1 bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
2169 (JSmol) -322.5 -321.7 14.0 14.4 Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
2174 (JSmol) 64.1 -18.3 21.4 26.3 Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
2202 (JSmol) -225.6 -584.1 52.9 87.9 tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
2204 (JSmol) -487.8 -450.1 18.4 32.6 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2249 (JSmol) -73.4 -67.5 26.4 19.8 Tribromo-(trimethylphosphine) gold (BRMPAU)
2254 (JSmol) -361.7 -403.7 24.7 52.8 bis(Methyl isocyanide)-gold(i) hexafluorophosphate (LUVJIV)
2257 (JSmol) -174.4 -216.5 14.0 17.4 bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
2262 (JSmol) -13.6 -62.7 24.3 34.3 Triiodo-trimethylphosphine-gold(iii) (ABANOH)
2267 (JSmol) 17.8 -20.1 40.4 28.6 bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
2327 (JSmol) -300.1 -628.5 46.4 66.9 Trithallium(i) phosphate (Tl3PO4)
2367 (JSmol) -620.3 -614.2 -1041.3 44.7 56.5 Lead phosphate (Pb3(PO4)2) (ICSD 14247)
2371 (JSmol) -977.5 -1559.5 29.2 54.5 Pyromorphite (Pb5(PO4)3(Cl))
2372 (JSmol) -1037.6 -1703.7 30.6 45.1 Pyromorphite (Pb5(PO4)3(F))
2373 (JSmol) -997.2 -1596.2 21.9 58.6 Pyromorphite (Pb5(PO4)3(OH))