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 70 Silver-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray
(All solids - Periodic Table - Home - Accuracy - Manual)
Average unsigned error in PM7 HoF: 33.81 kcal/mol, for 10 solids
Average unsigned error in PM6-D3H4 HoF: 400.65 kcal/mol, for 9 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6-D3H4 PM7 PM6-D3H4
1483 (JSmol) -154.8 -559.0 39.9 53.8 (1,1,3,3-Tetraoxo-1,3,2-benzodithiazolido)-acetonitrile-silver(i) (WAKMAW)
1484 (JSmol) -179.2 -597.5 77.9 85.2 (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
1485 (JSmol) -58.4 -473.4 23.8 70.0 (6-Methyl-2-pyridinecarboxylato-N,O)-(6-methyl-2-pyridinecarboxylic acid-N,O)-silver(i) (UBEGOX)
1486 (JSmol) -421.3 -856.6 74.5 87.9 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
1487 (JSmol) 84.3 -380.1 29.4 81.5 (Nitrato-O)-bis(pyridine-4-carbonitrile-N)-silver(i) (FOHJIV)
1488 (JSmol) -52.4 -509.5 36.9 96.7 (mu-2-Phthalato-O,O')-diammine-di-silver(i) (RABVUL)
1489 (JSmol) -340.6 -1065.6 74.7 92.7 Acetonitrile-perfluoroisopropyl-silver (DUJXEL)
1490 (JSmol) -0.4 -395.2 40.5 81.0 Ammine-(2,2'-bipyridine)-silver(i) nitrate (KUQPOC)
1491 (JSmol) -110.5 -661.7 75.2 82.1 Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
1492 (JSmol) 125.6 82.9 22.2 39.7 Bis(cyanido)(ethane-1,2-diamine-N,N')silver(ii) (SILKEE)
1493 (JSmol) -14.5 -211.3 45.1 75.6 Chloro-trithia-9-crown-3-silver(i) (JAVWIM)
1494 (JSmol) 47.0 -105.1 48.3 87.5 Cyano-(ethane-1,2-diamine)-silver(i) (FILSEZ)
1495 (JSmol) 37.1 -165.8 49.9 97.0 Cyano-bis(piperidine-N)-silver(i) (JEYDIB)
1496 (JSmol) -249.4 -387.3 65.4 85.7 Dinitrato-(2,2'-bipyridyl) silver(ii) (NDPYAG)
1497 (JSmol) -114.6 -501.7 22.0 67.4 Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
1498 (JSmol) -282.0 -988.5 81.6 -.- Potassium silver carbonate (KAgCO3) (ICSD 1903697)
1499 (JSmol) 0.0 7.0 11.8 80.4 97.6 Silver (Ag) (ICSD 64706)
1500 (JSmol) 32.7 62.4 85.2 85.5 Silver cyanide (AgCN)
1501 (JSmol) -29.7 -8.9 -819.1 45.5 98.0 Silver nitrate (AgNO3)
1502 (JSmol) 17.3 -592.5 49.0 85.6 Silver nitrate-pyrazine complex (AGPYRZ)
1503 (JSmol) -30.4 -16.6 21.0 36.6 91.9 Silver(i) chloride (AgCl)
1504 (JSmol) -48.9 -256.3 92.5 93.5 Silver(i) fluoride (AgF)
1505 (JSmol) -19.0 -514.5 0.6 52.7 bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
1506 (JSmol) 67.3 -167.0 43.6 90.5 bis(2-Imidazolidinethione-S)-(thiocyanato-S)-silver(i) (SCYNAG01)
1507 (JSmol) -89.8 -458.7 53.9 65.3 bis(3-Hydroxypyridine-N)-(nitrato-O,O')-silver(i) (MAPNEX)
1508 (JSmol) -1.0 -293.4 42.7 90.4 bis(5,7-Dimethyl-1,8-naphthyridin-2(1H)-one)-di-silver(i) (HEVXOW)
1509 (JSmol) -277.5 -541.6 44.4 84.6 bis(Cyclo-octadiene)-silver(i) tetrafluoroborate (OCDAGB)
1510 (JSmol) -141.9 -614.9 70.1 89.6 bis(Dihydroxybenzoato)-di-silver(i) (KAMTUN)
1511 (JSmol) -341.1 -794.6 24.6 76.0 bis(Pyridine-2,6-dicarboxylato)-silver(ii) monohydrate (PYRCAG)
1512 (JSmol) 2.5 -236.0 28.0 91.6 bis(chloro-(1,3,4,5-tetramethylimidazol-2-ylidene)-silver(i)) (HEBMIL)
1513 (JSmol) -159.8 -419.5 94.0 92.6 bis(mu-2-2-Hydroxybenzoato-O,O')-di-silver(i) (KAMTOH03)
1514 (JSmol) -40.3 -496.1 71.0 76.4 bis(mu-2-6-Isopropyltropolonato-O,O')-di-silver(i) (IPACEH)
1515 (JSmol) -20.8 -256.0 66.4 96.2 bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
1516 (JSmol) -119.6 -425.9 92.9 88.3 bis(mu-2-Benzoato-O,O')-di-silver(i) (BZOAGA)
1517 (JSmol) -122.7 -504.5 55.1 88.0 bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
1518 (JSmol) -206.2 -1020.2 81.5 92.5 bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
1519 (JSmol) -216.3 -353.1 91.8 91.3 bis-(mu-2-2,6-Dihydroxybenzoato)-silver(i) (LAYCOD)
1520 (JSmol) -39.6 22.7 13.9 30.0 catena(bis(mu-2-Adiponitrile-N,N')-silver(i) perchlorate) (AGPADP)
1521 (JSmol) -67.7 -567.1 18.1 43.3 catena-((mu-3-cis,trans-1,3,5-Triaminocyclohexane)-silver(i) perchlorate) (ABIREJ)
1522 (JSmol) -2.5 -172.5 35.3 78.0 chloro-(1,3-bis(adamantyl)imidazol-2-ylidene)-silver(i) (HEBMUX)
1523 (JSmol) -1.5 -.- 81.4 -.- cis,cis,cis-1,4,7-Cyclononatriene silver nitrate complex (CNTAGN10)
1524 (JSmol) 3.1 -491.1 59.8 75.6 di-pyridine-silver(i) perchlorate (NEVRAI)
1525 (JSmol) -310.8 -1268.7 73.7 98.0 tetrakis((mu-2-trans-Perfluoro-1-methyl-1-propenyl)-silver) (LAJJEL)
1526 (JSmol) -408.9 -1227.8 43.4 92.1 Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
1527 (JSmol) -666.5 -759.0 30.8 55.5 bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
1528 (JSmol) -24.0 -7.2 33.0 34.9 -.- Silver(i) bromide (AgBr)
1529 (JSmol) -150.9 -1143.2 41.8 87.8 (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
1530 (JSmol) -691.3 -1775.1 63.4 88.8 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
1531 (JSmol) -152.0 -1227.0 47.9 93.8 (mu-2-Hydrogen 1H-imidazole-4,5-dicarboxylate-N,N')-bis(ammine)-di-silver(i) (DUKMOM01)
1532 (JSmol) 109.9 -254.3 52.1 95.9 (mu-2-Propane-1,3-diamine)-dicyano-di-silver(i) (FILSOJ)
1533 (JSmol) -284.5 -1146.2 68.9 85.8 (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
1534 (JSmol) -494.9 -976.3 45.9 61.3 Aqua-(4-(4-pyridyl)benzoate-N)-silver(i) trihydrate (RAKGEQ)
1535 (JSmol) -120.9 -859.5 98.4 91.4 Silver carbonate (Ag2CO3)
1536 (JSmol) -171.1 -211.0 -1158.1 79.8 93.5 Silver sulfate (Ag2SO4) (ICSD 27655)
1537 (JSmol) -162.6 -28.5 94.5 92.1 Silver(i) oxide (Ag2O) (ICSD 281041)
1538 (JSmol) -209.8 -.- 59.9 -.- Silver(i) syn-anti-methane-disulfonate (MEDSUL)
1539 (JSmol) -160.9 -152.1 -.- 92.4 -.- catena((mu-6-Oxalato)-di-silver) (AGOXAL)
1540 (JSmol) 111.5 -473.8 39.7 64.9 tetrakis(mu-2-1,3,4,6,7,8-Hexahydropyrimido(1,2-a)pyrimidinato)-tetra-silver(i) (UMIFEB)
1541 (JSmol) -174.9 -867.0 72.7 92.8 Silver chromate (Ag2CrO4) (ICSD 160644)
1542 (JSmol) -68.4 -282.6 29.5 91.7 Tetramethylammonium catena-((mu-4-bromo)-bis(mu-2-bromo)-di-silver(i)) (FAGGOJ)
1543 (JSmol) 49.9 -775.3 89.3 96.9 Acetylide-octa-silver hexanitrate (SOVNEW01)
1635 (JSmol) -309.6 -337.4 39.6 65.5 Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
1711 (JSmol) -35.5 -.- 60.1 -.- Silver iodate (AgIO3) (ICSD 14100)
1712 (JSmol) -49.3 -1040.7 93.8 94.1 Silver periodate (AgIO4)
1713 (JSmol) -14.8 -1.4 56.5 1.1 -.- Silver(i) iodide (AgI)
1745 (JSmol) -34.4 -189.9 17.5 72.7 Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
1833 (JSmol) -230.5 -449.2 23.1 65.3 18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
2116 (JSmol) -185.2 -.- 80.9 -.- Silver tungstate (Ag2WO4) (ICSD 1802521)
2220 (JSmol) -279.8 -835.6 31.2 69.1 bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
2375 (JSmol) -4391.1 -.- 34.6 -.- Boleite (KPb26Ag9Cu24Cl62(OH)48)