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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=266",
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"results": [
{
"id": "jvasp-122600",
"created_at": "2022-09-04T14:38:53.952900Z",
"updated_at": "2022-09-04T14:38:53.952947Z",
"structure_string": "Sn7 Pb1\n1.0\n6.682178 0.000000 -0.000000\n0.000000 6.682178 -0.000000\n0.000000 -0.000000 6.682178\nSn Pb\n7 1\ndirect\n0.253278 0.253278 0.753279 Sn\n0.000000 0.500000 0.000000 Sn\n0.253278 0.746722 0.246722 Sn\n0.500000 0.000000 0.000000 Sn\n0.746722 0.253278 0.246722 Sn\n0.500000 0.500000 0.500000 Sn\n0.746722 0.746722 0.753279 Sn\n0.000000 0.000000 0.500000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 5.777812601703699,
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"volume": 298.36928983535915,
"volume_molar": 22.46027327312213,
"formula_full": "Sn7 Pb1",
"formula_reduced": "Sn7Pb",
"formula_anonymous": "AB7",
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"spacegroup": 215
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{
"id": "jvasp-105256",
"created_at": "2022-09-04T14:36:56.030423Z",
"updated_at": "2022-09-04T14:36:56.030441Z",
"structure_string": "Sn2 Pb6\n1.0\n6.984667 0.000000 0.000000\n-3.492334 6.048899 0.000000\n0.000000 -0.000000 5.817887\nSn Pb\n2 6\ndirect\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.168307 0.336614 0.250000 Pb\n0.663387 0.831693 0.250000 Pb\n0.168307 0.831693 0.250000 Pb\n0.831694 0.663386 0.750000 Pb\n0.336614 0.168307 0.750000 Pb\n0.831694 0.168307 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 10.002426955752934,
"density_atomic": 0.032546378187504554,
"volume": 245.80307995902962,
"volume_molar": 18.503259334435143,
"formula_full": "Sn2 Pb6",
"formula_reduced": "SnPb3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-39081",
"created_at": "2022-09-04T14:38:02.625410Z",
"updated_at": "2022-09-04T14:38:02.625440Z",
"structure_string": "Sn1 Pb1\n1.0\n1.728895 -2.994534 0.000000\n1.728895 2.994534 -0.000000\n-0.000000 0.000000 5.760746\nSn Pb\n1 1\ndirect\n0.666668 0.333335 0.500000 Sn\n0.333335 0.666668 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Pb"
],
"chemical_system": "Pb-Sn",
"density": 9.072776120338542,
"density_atomic": 0.03352921659324781,
"volume": 59.649470020804614,
"volume_molar": 17.960875236234276,
"formula_full": "Sn1 Pb1",
"formula_reduced": "SnPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.24651626,
"spacegroup": 187
},
{
"id": "jvasp-122820",
"created_at": "2022-09-04T14:38:54.262301Z",
"updated_at": "2022-09-04T14:38:54.262319Z",
"structure_string": "Sm3 Pb1\n1.0\n1.796015 -3.110789 -0.000000\n1.796015 3.110789 0.000000\n-0.000000 -0.000000 11.287759\nSm Pb\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.240594 Sm\n0.666668 0.333334 0.759406 Sm\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pb"
],
"chemical_system": "Pb-Sm",
"density": 8.666455667645163,
"density_atomic": 0.031713323168800454,
"volume": 126.12995423750473,
"volume_molar": 18.9893084617653,
"formula_full": "Sm3 Pb1",
"formula_reduced": "Sm3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.16196186125,
"spacegroup": 164
},
{
"id": "jvasp-56889",
"created_at": "2022-09-04T14:36:43.628772Z",
"updated_at": "2022-09-04T14:36:43.628807Z",
"structure_string": "Ta1 Pb1 Se2\n1.0\n1.738514 -3.011195 0.000000\n1.738514 3.011195 0.000000\n-0.000000 -0.000000 9.463804\nTa Pb Se\n1 1 2\ndirect\n0.333332 0.666665 0.500000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.675970 Se\n0.000000 0.000000 0.324030 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Ta",
"density": 9.151302754327032,
"density_atomic": 0.04036892508160567,
"volume": 99.08611616271703,
"volume_molar": 14.917763472339827,
"formula_full": "Ta1 Pb1 Se2",
"formula_reduced": "TaPbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.265216688333333,
"spacegroup": 187
},
{
"id": "jvasp-110170",
"created_at": "2022-09-04T14:38:18.429067Z",
"updated_at": "2022-09-04T14:38:18.429075Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.270351 -0.000274 6.438548\n1.940903 3.803787 6.438548\n-0.000447 -0.000274 7.725982\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495157 0.495159 0.495158 Sn\n0.247010 0.247011 0.247011 Te\n0.006194 0.006194 0.006194 Pb\n0.751635 0.751639 0.751637 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sn",
"Te",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn-Te",
"density": 7.044407394378465,
"density_atomic": 0.03186839665287602,
"volume": 125.51619849500692,
"volume_molar": 18.896905374925797,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6270259133333334,
"spacegroup": 160
},
{
"id": "jvasp-100545",
"created_at": "2022-09-04T14:36:46.206558Z",
"updated_at": "2022-09-04T14:36:46.206577Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.479903 0.000000 -0.000000\n0.000000 4.479903 0.000000\n0.000000 -0.000000 6.305529\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sn",
"Te",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn-Te",
"density": 6.986915531800567,
"density_atomic": 0.03160830756682923,
"volume": 126.54900903956425,
"volume_molar": 19.05239863686921,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6397134133333333,
"spacegroup": 123
},
{
"id": "jvasp-99931",
"created_at": "2022-09-04T14:36:38.782803Z",
"updated_at": "2022-09-04T14:36:38.782823Z",
"structure_string": "Sn1 Pb1 Se2\n1.0\n4.149725 0.001558 6.257302\n1.887464 3.695633 6.257302\n0.002543 0.001558 7.508264\nSn Pb Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.247703 0.247703 0.247703 Se\n0.752296 0.752297 0.752296 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn",
"density": 6.983651206324352,
"density_atomic": 0.03476967579336784,
"volume": 115.04277531293468,
"volume_molar": 17.320094658888642,
"formula_full": "Sn1 Pb1 Se2",
"formula_reduced": "SnPbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7268073133333335,
"spacegroup": 166
},
{
"id": "jvasp-101117",
"created_at": "2022-09-04T14:37:00.829548Z",
"updated_at": "2022-09-04T14:37:00.829566Z",
"structure_string": "Sn1 Pb4 Se5\n1.0\n4.369821 0.022047 17.470259\n2.170379 3.792793 17.470259\n0.037797 0.022047 18.008438\nSn Pb Se\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.600887 0.600887 0.600886 Pb\n0.200292 0.200292 0.200292 Pb\n0.799708 0.799709 0.799708 Pb\n0.399113 0.399114 0.399113 Pb\n0.698619 0.698620 0.698619 Se\n0.500000 0.500000 0.500000 Se\n0.099389 0.099389 0.099389 Se\n0.301381 0.301381 0.301381 Se\n0.900611 0.900612 0.900611 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn",
"density": 7.574535457560253,
"density_atomic": 0.03398240252460489,
"volume": 294.2699531841376,
"volume_molar": 17.721350795134867,
"formula_full": "Sn1 Pb4 Se5",
"formula_reduced": "SnPb4Se5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.9437221813333334,
"spacegroup": 166
},
{
"id": "jvasp-111007",
"created_at": "2022-09-04T14:38:39.319021Z",
"updated_at": "2022-09-04T14:38:39.319043Z",
"structure_string": "Sn2 Pb1 Se3\n1.0\n4.320298 0.000000 0.000000\n-2.160149 3.741488 0.000000\n0.000000 0.000000 10.590894\nSn Pb Se\n2 1 3\ndirect\n0.333333 0.666667 0.664008 Sn\n0.666667 0.333334 0.335992 Sn\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.172898 Se\n0.666667 0.333334 0.827102 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn",
"density": 6.610347271457141,
"density_atomic": 0.035047784377068625,
"volume": 171.1948445998125,
"volume_molar": 17.182657526106613,
"formula_full": "Sn2 Pb1 Se3",
"formula_reduced": "Sn2PbSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8831590533333336,
"spacegroup": 164
},
{
"id": "jvasp-53411",
"created_at": "2022-09-04T14:38:33.600860Z",
"updated_at": "2022-09-04T14:38:33.600887Z",
"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sm",
"density": 7.601275884903021,
"density_atomic": 0.03889866872051219,
"volume": 359.9094894632594,
"volume_molar": 15.481611474339177,
"formula_full": "Sm4 Pb2 Se8",
"formula_reduced": "Sm2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.225083148095238,
"spacegroup": 122
},
{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Pb",
"Se"
],
"chemical_system": "Pb-Se-Si",
"density": 6.215910762799742,
"density_atomic": 0.034553978080231466,
"volume": 810.3263808001014,
"volume_molar": 17.428212595427045,
"formula_full": "Si4 Pb8 Se16",
"formula_reduced": "Si(PbSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4251662438095236,
"spacegroup": 14
}
]
}