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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4378",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4376",
"results": [
{
"id": "jvasp-115391",
"created_at": "2022-09-04T14:38:46.356912Z",
"updated_at": "2022-09-04T14:38:46.356935Z",
"structure_string": "Pb1 S1\n1.0\n4.116381 0.870059 0.495369\n-1.344143 -4.015695 0.111326\n-1.832228 0.508367 -3.785128\nPb S\n1 1\ndirect\n0.637140 0.821554 0.066963 Pb\n0.636548 0.321273 0.566488 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.39202350601401,
"density_atomic": 0.03721046209836691,
"volume": 53.74832472418492,
"volume_molar": 16.183998855161487,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.39141541,
"spacegroup": 225
},
{
"id": "jvasp-115387",
"created_at": "2022-09-04T14:38:46.140668Z",
"updated_at": "2022-09-04T14:38:46.140685Z",
"structure_string": "Pb2 S1\n1.0\n7.034471 0.489679 0.297615\n-3.283839 -4.640342 1.047511\n1.189800 1.993122 -3.359097\nPb S\n2 1\ndirect\n0.429019 0.492148 0.238743 Pb\n0.003532 0.566863 0.026392 Pb\n0.892593 0.956185 0.971225 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 8.249741780918205,
"density_atomic": 0.03338297935258838,
"volume": 89.86615509401476,
"volume_molar": 18.039554517871597,
"formula_full": "Pb2 S1",
"formula_reduced": "Pb2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6321705466666667,
"spacegroup": 38
},
{
"id": "jvasp-29502",
"created_at": "2022-09-04T14:37:04.172753Z",
"updated_at": "2022-09-04T14:37:04.172779Z",
"structure_string": "Pb2 S2\n1.0\n4.218599 0.022231 -0.255217\n-0.037344 4.218492 -0.255217\n-0.210308 -0.213299 21.485168\nPb S\n2 2\ndirect\n0.716151 0.736157 0.932933 Pb\n0.263842 0.283849 0.067067 Pb\n0.218688 0.239281 0.941156 S\n0.760719 0.781311 0.058843 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 2.0806213433723637,
"density_atomic": 0.010473570812595822,
"volume": 381.9136826944907,
"volume_molar": 57.49844888390498,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4827804099999999,
"spacegroup": 12
},
{
"id": "jvasp-1112",
"created_at": "2022-09-04T14:37:03.996668Z",
"updated_at": "2022-09-04T14:37:03.996696Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
"volume_molar": 16.136829235460656,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972604099999999,
"spacegroup": 225
},
{
"id": "jvasp-104933",
"created_at": "2022-09-04T14:36:59.562036Z",
"updated_at": "2022-09-04T14:36:59.562062Z",
"structure_string": "Sb1 Pb1\n1.0\n3.378036 0.012717 0.000000\n-0.832734 3.273812 0.000000\n-0.000000 -0.000000 5.424470\nSb Pb\n1 1\ndirect\n0.500001 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 9.097062913939324,
"density_atomic": 0.03330726738159684,
"volume": 60.04695543126584,
"volume_molar": 18.080560890826472,
"formula_full": "Sb1 Pb1",
"formula_reduced": "SbPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.66780346,
"spacegroup": 65
},
{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 8.170895138344843,
"density_atomic": 0.034381135183983336,
"volume": 232.68574342265606,
"volume_molar": 17.515828746705985,
"formula_full": "Sb6 Pb2",
"formula_reduced": "Sb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.31753228,
"spacegroup": 194
},
{
"id": "jvasp-110178",
"created_at": "2022-09-04T14:38:19.249391Z",
"updated_at": "2022-09-04T14:38:19.249423Z",
"structure_string": "Sb1 Pb3\n1.0\n3.490567 -0.000000 0.000000\n-1.745284 3.022919 0.000000\n-0.000000 -0.000000 11.618294\nSb Pb\n1 3\ndirect\n0.333334 0.666667 0.500000 Sb\n0.333334 0.666667 -0.000000 Pb\n0.000000 0.000000 0.744605 Pb\n0.000000 0.000000 0.255394 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.068932621907527,
"density_atomic": 0.03262835211635691,
"volume": 122.5927679625218,
"volume_molar": 18.456772620708115,
"formula_full": "Sb1 Pb3",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.60244714,
"spacegroup": 187
},
{
"id": "jvasp-100755",
"created_at": "2022-09-04T14:36:39.603048Z",
"updated_at": "2022-09-04T14:36:39.603067Z",
"structure_string": "Sb2 Pb6\n1.0\n6.969925 -0.000000 0.000000\n-3.484962 6.036132 0.000000\n-0.000000 -0.000000 5.857512\nSb Pb\n2 6\ndirect\n0.333333 0.666666 0.750000 Sb\n0.666666 0.333333 0.250000 Sb\n0.168595 0.337190 0.250000 Pb\n0.662809 0.831405 0.250000 Pb\n0.168595 0.831405 0.250000 Pb\n0.831405 0.662809 0.750000 Pb\n0.337190 0.168595 0.750000 Pb\n0.831405 0.168595 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.017936185087903,
"density_atomic": 0.03246309828462405,
"volume": 246.4336561427087,
"volume_molar": 18.55072706616038,
"formula_full": "Sb2 Pb6",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59933714,
"spacegroup": 194
},
{
"id": "jvasp-8751",
"created_at": "2022-09-04T14:37:13.519622Z",
"updated_at": "2022-09-04T14:37:13.519639Z",
"structure_string": "Sb2 Te4 Pb1\n1.0\n4.353932 -0.008489 13.586483\n2.116716 3.804774 13.586483\n-0.014469 -0.008489 14.267061\nSb Te Pb\n2 4 1\ndirect\n0.572357 0.572356 0.572357 Sb\n0.427644 0.427642 0.427643 Sb\n0.714172 0.714170 0.714172 Te\n0.133741 0.133741 0.133741 Te\n0.866260 0.866258 0.866259 Te\n0.285829 0.285828 0.285829 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pb"
],
"chemical_system": "Pb-Sb-Te",
"density": 6.7168428101298,
"density_atomic": 0.02946025575949094,
"volume": 237.60825626046625,
"volume_molar": 20.44157664198113,
"formula_full": "Sb2 Te4 Pb1",
"formula_reduced": "Sb2Te4Pb",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.131103440952381,
"spacegroup": 166
},
{
"id": "jvasp-110467",
"created_at": "2022-09-04T14:38:37.990602Z",
"updated_at": "2022-09-04T14:38:37.990637Z",
"structure_string": "Sc1 Pb3\n1.0\n4.192124 -0.075513 -4.626599\n-0.679002 4.137458 -4.626599\n0.065310 0.075513 6.243001\nSc Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500001 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Pb"
],
"chemical_system": "Pb-Sc",
"density": 9.977129660584888,
"density_atomic": 0.03605619761876892,
"volume": 110.93793201082897,
"volume_molar": 16.70209605481305,
"formula_full": "Sc1 Pb3",
"formula_reduced": "ScPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8072144274999999,
"spacegroup": 139
},
{
"id": "jvasp-26961",
"created_at": "2022-09-04T14:38:35.656445Z",
"updated_at": "2022-09-04T14:38:35.656470Z",
"structure_string": "Sc10 Pb6\n1.0\n4.255864 -7.371374 -0.000000\n4.255864 7.371374 -0.000000\n0.000000 0.000000 6.161588\nSc Pb\n10 6\ndirect\n0.333333 0.666666 0.000000 Sc\n0.666666 0.333333 0.500000 Sc\n0.666666 0.333333 0.000000 Sc\n0.333333 0.666666 0.500000 Sc\n-0.000000 0.765504 0.750000 Sc\n0.765504 0.765504 0.250000 Sc\n0.234495 -0.000000 0.250000 Sc\n0.765504 -0.000000 0.750000 Sc\n0.234495 0.234495 0.750000 Sc\n-0.000000 0.234495 0.250000 Sc\n-0.000000 0.393055 0.750000 Pb\n0.393055 0.393055 0.250000 Pb\n0.606944 -0.000000 0.250000 Pb\n0.393055 -0.000000 0.750000 Pb\n0.606944 0.606944 0.750000 Pb\n-0.000000 0.606944 0.250000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sc",
"Pb"
],
"chemical_system": "Pb-Sc",
"density": 7.270853948147401,
"density_atomic": 0.041386732861343624,
"volume": 386.5973198127087,
"volume_molar": 14.55089673344293,
"formula_full": "Sc10 Pb6",
"formula_reduced": "Sc5Pb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.94297983875,
"spacegroup": 193
},
{
"id": "jvasp-37244",
"created_at": "2022-09-04T14:38:01.570349Z",
"updated_at": "2022-09-04T14:38:01.570376Z",
"structure_string": "Sc3 Pb1\n1.0\n-2.171473 2.171473 4.937735\n2.171473 -2.171473 4.937735\n2.171473 2.171473 -4.937735\nSc Pb\n3 1\ndirect\n0.749999 0.250000 0.499999 Sc\n0.250000 0.749999 0.499999 Sc\n0.500001 0.500001 0.000000 Sc\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Pb"
],
"chemical_system": "Pb-Sc",
"density": 6.09908342150684,
"density_atomic": 0.042950018395174865,
"volume": 93.13150842443811,
"volume_molar": 14.021276323077304,
"formula_full": "Sc3 Pb1",
"formula_reduced": "Sc3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9384491425,
"spacegroup": 139
}
]
}