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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4379",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4377",
"results": [
{
"id": "jvasp-8506",
"created_at": "2022-09-04T14:37:05.764964Z",
"updated_at": "2022-09-04T14:37:05.764981Z",
"structure_string": "Pb2 Se2\n1.0\n4.323732 0.050792 -0.731636\n-0.174464 4.320509 -0.731636\n-1.007904 -1.061838 7.113685\nPb Se\n2 2\ndirect\n0.850389 0.850387 0.717514 Pb\n0.132873 0.132873 0.282485 Pb\n0.347533 0.347532 0.712325 Se\n0.635208 0.635208 0.287675 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 7.524103826443662,
"density_atomic": 0.03166844587039204,
"volume": 126.30869277168232,
"volume_molar": 19.016218177066637,
"formula_full": "Pb2 Se2",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2954970933333333,
"spacegroup": 139
},
{
"id": "jvasp-37705",
"created_at": "2022-09-04T14:37:31.103151Z",
"updated_at": "2022-09-04T14:37:31.103167Z",
"structure_string": "Pb2 Se4\n1.0\n-3.245095 3.245095 3.911471\n3.245095 -3.245095 3.911471\n3.245095 3.245095 -3.911471\nPb Se\n2 4\ndirect\n0.250001 0.250001 0.000000 Pb\n0.750000 0.750000 0.000000 Pb\n0.631492 0.131492 0.762982 Se\n0.368508 0.868509 0.237018 Se\n0.868509 0.631491 0.500001 Se\n0.131492 0.368510 0.500001 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 7.359694366065225,
"density_atomic": 0.036416341563053393,
"volume": 164.76119627808433,
"volume_molar": 16.536918596210196,
"formula_full": "Pb2 Se4",
"formula_reduced": "PbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7772591844444444,
"spacegroup": 140
},
{
"id": "jvasp-91670",
"created_at": "2022-09-04T14:36:10.189939Z",
"updated_at": "2022-09-04T14:36:10.189961Z",
"structure_string": "Pb4 Se4\n1.0\n0.000000 4.377591 0.000000\n0.000000 -0.000000 4.377843\n12.384059 0.000000 0.000000\nPb Se\n4 4\ndirect\n0.250000 0.249647 0.625012 Pb\n0.250000 0.250352 0.125012 Pb\n0.750000 0.750352 0.374988 Pb\n0.750000 0.749647 0.874988 Pb\n0.250000 0.249759 0.875019 Se\n0.250000 0.250241 0.375019 Se\n0.750000 0.750240 0.124981 Se\n0.750000 0.749759 0.624981 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.008655971442222,
"density_atomic": 0.03370789318919947,
"volume": 237.33313604314267,
"volume_molar": 17.865669403300434,
"formula_full": "Pb4 Se4",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2478770933333333,
"spacegroup": 225
},
{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 6.021804947402711,
"density_atomic": 0.029796360403474727,
"volume": 100.68343782182714,
"volume_molar": 20.210994492125028,
"formula_full": "Pb1 Se2",
"formula_reduced": "PbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-18007",
"created_at": "2022-09-04T14:38:12.353580Z",
"updated_at": "2022-09-04T14:38:12.353597Z",
"structure_string": "Pb1 Se1\n1.0\n3.772611 -0.000000 0.000000\n-0.000000 3.772611 -0.000000\n0.000000 -0.000000 3.772611\nPb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.84976919890378,
"density_atomic": 0.03724808207137857,
"volume": 53.69403976740053,
"volume_molar": 16.167653272616185,
"formula_full": "Pb1 Se1",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3597470933333333,
"spacegroup": 221
},
{
"id": "jvasp-1115",
"created_at": "2022-09-04T14:37:15.723685Z",
"updated_at": "2022-09-04T14:37:15.723722Z",
"structure_string": "Pb1 Se1\n1.0\n3.791486 0.000000 2.189016\n1.263828 3.574647 2.189016\n0.000000 0.000000 4.378031\nPb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500001 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.008230672778998,
"density_atomic": 0.033706103135791685,
"volume": 59.336435064670795,
"volume_molar": 17.866618207802365,
"formula_full": "Pb1 Se1",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2481820933333333,
"spacegroup": 225
},
{
"id": "jvasp-21",
"created_at": "2022-09-04T14:37:11.370437Z",
"updated_at": "2022-09-04T14:37:11.370447Z",
"structure_string": "Pb1 Se1\n1.0\n3.791545 0.000000 2.189050\n1.263848 3.574703 2.189050\n0.000000 0.000000 4.378099\nPb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500001 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.00785622631177,
"density_atomic": 0.033704527115849335,
"volume": 59.339209629780356,
"volume_molar": 17.86745364888424,
"formula_full": "Pb1 Se1",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2481820933333333,
"spacegroup": 225
},
{
"id": "jvasp-79490",
"created_at": "2022-09-04T14:36:43.011580Z",
"updated_at": "2022-09-04T14:36:43.011608Z",
"structure_string": "Pb2 Se2\n1.0\n-4.301447 0.000000 0.000000\n0.000000 0.000000 -4.485391\n2.150723 -6.055524 -0.000000\nPb Se\n2 2\ndirect\n0.629732 0.750000 0.259464 Pb\n0.370269 0.250000 0.740535 Pb\n0.864921 0.750000 0.729839 Se\n0.135080 0.250000 0.270160 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.134322880374594,
"density_atomic": 0.0342368167387706,
"volume": 116.83329178995497,
"volume_molar": 17.58966321533153,
"formula_full": "Pb2 Se2",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2726670933333334,
"spacegroup": 63
},
{
"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": [
"Si",
"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
},
{
"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-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-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": [
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"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
}
]
}