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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=419",
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"results": [
{
"id": "jvasp-97658",
"created_at": "2022-09-04T14:35:46.563608Z",
"updated_at": "2022-09-04T14:35:46.563634Z",
"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
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"elements": [
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"formula_full": "Pb8 O12",
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"spacegroup": 63
},
{
"id": "jvasp-55519",
"created_at": "2022-09-04T14:37:00.386708Z",
"updated_at": "2022-09-04T14:37:00.386735Z",
"structure_string": "Pb8 O12\n1.0\n0.000000 7.645732 -0.014315\n5.739976 0.000000 0.000000\n0.000000 -3.069208 -7.256972\nPb O\n8 12\ndirect\n0.091354 0.754229 0.116987 Pb\n0.908646 0.254229 0.383013 Pb\n0.908646 0.245772 0.883013 Pb\n0.091354 0.745772 0.616987 Pb\n0.612584 0.741365 0.140539 Pb\n0.387416 0.241364 0.359461 Pb\n0.387416 0.258636 0.859461 Pb\n0.612583 0.758637 0.640539 Pb\n0.073009 0.937204 0.361608 O\n0.926990 0.437203 0.138393 O\n0.809024 0.593883 0.450537 O\n0.190975 0.093883 0.049464 O\n0.190975 0.406117 0.549464 O\n0.627559 0.128178 0.229757 O\n0.372441 0.871823 0.770244 O\n0.627558 0.371822 0.729757 O\n0.073009 0.562797 0.861608 O\n0.372441 0.628178 0.270244 O\n0.809024 0.906118 0.950536 O\n0.926990 0.062797 0.638392 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pb",
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],
"chemical_system": "O-Pb",
"density": 9.636001712673739,
"density_atomic": 0.06274825323430762,
"volume": 318.73397216840766,
"volume_molar": 9.597304226960366,
"formula_full": "Pb8 O12",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4237484279999997,
"spacegroup": 14
},
{
"id": "jvasp-78947",
"created_at": "2022-09-04T14:36:36.729764Z",
"updated_at": "2022-09-04T14:36:36.729788Z",
"structure_string": "Pb2 O2\n1.0\n3.388441 1.043958 -0.574937\n0.935094 3.427261 0.530655\n-0.934614 0.979422 7.495170\nPb O\n2 2\ndirect\n0.047042 0.118610 0.964311 Pb\n0.881412 0.952861 0.464312 Pb\n0.036330 0.464772 0.285689 O\n0.535215 0.963755 0.785690 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Pb",
"density": 9.873214919689518,
"density_atomic": 0.053277822449925724,
"volume": 75.0781435138323,
"volume_molar": 11.303278705994478,
"formula_full": "Pb2 O2",
"formula_reduced": "PbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.3518421599999999,
"spacegroup": 186
},
{
"id": "jvasp-51478",
"created_at": "2022-09-04T14:37:30.270353Z",
"updated_at": "2022-09-04T14:37:30.270380Z",
"structure_string": "Pb6 O8\n1.0\n3.489794 -0.000653 -0.002405\n0.001844 6.801772 -0.002829\n0.005931 0.004512 10.042192\nPb O\n6 8\ndirect\n0.499812 0.520808 0.688796 Pb\n0.499899 0.979206 0.188783 Pb\n-0.000035 0.499995 0.000005 Pb\n0.500188 0.020808 0.811201 Pb\n0.500106 0.479206 0.311221 Pb\n0.000028 -0.000008 0.499992 Pb\n0.499943 0.668988 0.912663 O\n0.499994 0.331003 0.087347 O\n0.500026 0.830998 0.412653 O\n0.500022 0.168993 0.587334 O\n0.000010 0.646677 0.194155 O\n0.000116 0.853327 0.694149 O\n-0.000059 0.146672 0.305844 O\n-0.000061 0.353323 0.805853 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.552074909997607,
"density_atomic": 0.05873234937602506,
"volume": 238.36948715208206,
"volume_molar": 10.253532889420356,
"formula_full": "Pb6 O8",
"formula_reduced": "Pb3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5292780657142857,
"spacegroup": 55
},
{
"id": "jvasp-252",
"created_at": "2022-09-04T14:37:37.657366Z",
"updated_at": "2022-09-04T14:37:37.657393Z",
"structure_string": "Pb2 O2\n1.0\n4.046930 0.000000 0.000000\n0.000000 4.046930 0.000000\n0.000000 0.000000 5.051974\nPb O\n2 2\ndirect\n0.500000 0.000000 0.235799 Pb\n0.000000 0.500000 0.764200 Pb\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
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"elements": [
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"density": 8.95900180867252,
"density_atomic": 0.04834454750287437,
"volume": 82.73942371189173,
"volume_molar": 12.456711399857344,
"formula_full": "Pb2 O2",
"formula_reduced": "PbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2689971599999998,
"spacegroup": 129
},
{
"id": "jvasp-59671",
"created_at": "2022-09-04T14:37:39.454952Z",
"updated_at": "2022-09-04T14:37:39.454971Z",
"structure_string": "Pb4 O8\n1.0\n5.115109 0.000000 0.000000\n-0.000000 5.549576 0.000000\n0.000000 0.000000 6.010598\nPb O\n4 8\ndirect\n0.500000 0.750001 0.181936 Pb\n0.000000 0.250000 0.318065 Pb\n0.500000 0.250000 0.818065 Pb\n0.000000 0.750001 0.681936 Pb\n0.265038 0.430514 0.091544 O\n0.765038 0.569487 0.408456 O\n0.234962 0.930514 0.408456 O\n0.734963 0.069487 0.091544 O\n0.265038 0.930514 0.908456 O\n0.765038 0.069487 0.591544 O\n0.234962 0.430514 0.591544 O\n0.734963 0.569487 0.908456 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"O"
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"density": 9.311844324383182,
"density_atomic": 0.07033133603850235,
"volume": 170.62095896245583,
"volume_molar": 8.562528595650772,
"formula_full": "Pb4 O8",
"formula_reduced": "PbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.183692606666667,
"spacegroup": 60
},
{
"id": "jvasp-8454",
"created_at": "2022-09-04T14:37:07.479313Z",
"updated_at": "2022-09-04T14:37:07.479332Z",
"structure_string": "Pb4 O4\n1.0\n4.812450 0.000000 0.000000\n0.000000 5.551003 0.000000\n0.000000 0.000000 5.957138\nPb O\n4 4\ndirect\n0.750000 0.010457 0.229683 Pb\n0.250000 0.989543 0.770317 Pb\n0.750000 0.510456 0.770317 Pb\n0.250000 0.489543 0.229683 Pb\n0.750000 0.911556 0.861182 O\n0.250000 0.088444 0.138818 O\n0.750000 0.411556 0.138818 O\n0.250000 0.588444 0.861182 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 9.315941621423924,
"density_atomic": 0.0502706654010227,
"volume": 159.13853409700937,
"volume_molar": 11.979433158403124,
"formula_full": "Pb4 O4",
"formula_reduced": "PbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2706221599999998,
"spacegroup": 57
},
{
"id": "jvasp-8441",
"created_at": "2022-09-04T14:37:10.387969Z",
"updated_at": "2022-09-04T14:37:10.387989Z",
"structure_string": "Pb2 O4\n1.0\n5.040568 0.000000 0.000000\n-0.000000 5.040568 0.000000\n0.000000 0.000000 3.465883\nPb O\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.307336 0.307336 0.000000 O\n0.807336 0.192664 0.500000 O\n0.192664 0.807336 0.500000 O\n0.692665 0.692665 0.000000 O\n",
"nsites": 6,
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"elements": [
"Pb",
"O"
],
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"density": 9.021219206384991,
"density_atomic": 0.06813627648605283,
"volume": 88.05881843614057,
"volume_molar": 8.838376663028694,
"formula_full": "Pb2 O4",
"formula_reduced": "PbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1848792733333338,
"spacegroup": 136
},
{
"id": "jvasp-29379",
"created_at": "2022-09-04T14:37:07.751647Z",
"updated_at": "2022-09-04T14:37:07.751663Z",
"structure_string": "Pb4 O2\n1.0\n5.454877 -0.000114 0.000114\n-0.000114 5.454877 0.000114\n0.000114 0.000114 5.454877\nPb O\n4 2\ndirect\n0.750001 0.750001 0.249999 Pb\n0.750001 0.250000 0.750000 Pb\n0.250000 0.750001 0.750000 Pb\n0.250000 0.250000 0.249999 Pb\n0.000024 0.000024 0.999976 O\n0.499975 0.499975 0.500025 O\n",
"nsites": 6,
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"elements": [
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"density": 8.806348417775892,
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"volume": 162.31359106768147,
"volume_molar": 16.291254877844274,
"formula_full": "Pb4 O2",
"formula_reduced": "Pb2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7030717133333335,
"spacegroup": 224
},
{
"id": "jvasp-50903",
"created_at": "2022-09-04T14:37:07.848567Z",
"updated_at": "2022-09-04T14:37:07.848596Z",
"structure_string": "Pb4 O6\n1.0\n0.000000 3.565374 -0.010180\n5.740561 0.000000 0.000000\n0.000000 -0.021772 -7.354806\nPb O\n4 6\ndirect\n0.750020 0.667249 0.101221 Pb\n0.749879 0.147819 0.383617 Pb\n0.250120 0.647819 0.616384 Pb\n0.249980 0.167249 0.898779 Pb\n0.250048 0.920256 0.140352 O\n0.250012 0.421574 0.149795 O\n0.750028 0.709101 0.409184 O\n0.249972 0.209101 0.590816 O\n0.749988 0.921574 0.850205 O\n0.749951 0.420256 0.859649 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 10.201426531514672,
"density_atomic": 0.06643021809644842,
"volume": 150.53390289162144,
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"formula_full": "Pb4 O6",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4362444279999995,
"spacegroup": 31
},
{
"id": "jvasp-17616",
"created_at": "2022-09-04T14:38:12.490969Z",
"updated_at": "2022-09-04T14:38:12.490987Z",
"structure_string": "Pb1 O2\n1.0\n3.304913 -0.000000 1.908093\n1.101638 3.115902 1.908093\n-0.000000 0.000000 3.816185\nPb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.750000 0.749999 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
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"elements": [
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"formula_full": "Pb1 O2",
"formula_reduced": "PbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2110826066666671,
"spacegroup": 225
},
{
"id": "jvasp-29744",
"created_at": "2022-09-04T14:37:06.027829Z",
"updated_at": "2022-09-04T14:37:06.027854Z",
"structure_string": "Pb4 O6\n1.0\n4.810722 0.000000 -0.371021\n0.000000 4.826063 0.000000\n0.518091 0.000000 6.740282\nPb O\n4 6\ndirect\n0.249985 0.749999 -0.000034 Pb\n0.750015 0.250000 0.000035 Pb\n0.250007 0.250000 0.578913 Pb\n0.749993 0.749999 0.421087 Pb\n0.249896 0.749999 0.698287 O\n0.250104 0.250000 0.963630 O\n0.749895 0.749999 0.036370 O\n0.249933 0.749999 0.301643 O\n0.750103 0.250000 0.301713 O\n0.750066 0.250000 0.698357 O\n",
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],
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"volume": 157.4157775220987,
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"formula_full": "Pb4 O6",
"formula_reduced": "Pb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4479424279999995,
"spacegroup": 129
}
]
}