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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1071",
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"results": [
{
"id": "jvasp-115388",
"created_at": "2022-09-04T14:38:45.727682Z",
"updated_at": "2022-09-04T14:38:45.727691Z",
"structure_string": "Pb1 S2\n1.0\n3.999269 -0.005380 -0.479650\n1.585169 -6.746110 -2.071832\n0.000594 -2.209592 -3.358530\nPb S\n1 2\ndirect\n0.049778 0.918641 0.854614 Pb\n0.508206 0.231335 -0.000279 S\n0.592062 0.606144 0.708556 S\n",
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"volume": 73.95267505400844,
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{
"id": "jvasp-35279",
"created_at": "2022-09-04T14:37:30.808965Z",
"updated_at": "2022-09-04T14:37:30.808985Z",
"structure_string": "Pr2 Sc2 Si2\n1.0\n4.311350 0.000000 0.000000\n0.000000 4.311350 -0.000000\n-2.155675 -2.155675 7.957097\nPr Sc Si\n2 2 2\ndirect\n0.323545 0.323545 0.647089 Pr\n0.676456 0.676456 0.352911 Pr\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.121196 0.121196 0.242391 Si\n0.878806 0.878806 0.757610 Si\n",
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"elements": [
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"Sc",
"Si"
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"volume": 147.9044408212983,
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"formula_full": "Pr2 Sc2 Si2",
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{
"id": "jvasp-65426",
"created_at": "2022-09-04T14:35:49.268042Z",
"updated_at": "2022-09-04T14:35:49.268064Z",
"structure_string": "Ba1 Mg2 Fe1\n1.0\n3.353413 0.000000 -0.000000\n-0.000000 3.353413 0.000000\n0.000000 0.000000 8.768309\nBa Mg Fe\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.669538 Mg\n0.000000 0.000000 0.330463 Mg\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"Mg",
"Fe"
],
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"density": 4.071768982919957,
"density_atomic": 0.0405667352670089,
"volume": 98.60295568948631,
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"formula_full": "Ba1 Mg2 Fe1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-120506",
"created_at": "2022-09-04T14:38:52.924678Z",
"updated_at": "2022-09-04T14:38:52.924713Z",
"structure_string": "Sb4 Te4 Pt4\n1.0\n6.662989 -0.000000 0.000000\n0.000000 6.662989 0.000000\n0.000000 0.000000 6.662989\nSb Te Pt\n4 4 4\ndirect\n0.127157 0.872843 0.372843 Sb\n0.872843 0.372843 0.127157 Sb\n0.372843 0.127157 0.872843 Sb\n0.627157 0.627157 0.627157 Sb\n0.872690 0.127310 0.627310 Te\n0.127310 0.627310 0.872690 Te\n0.627310 0.872690 0.127310 Te\n0.372690 0.372690 0.372690 Te\n0.506073 0.493927 0.993927 Pt\n0.493927 0.993927 0.506073 Pt\n0.993927 0.506073 0.493927 Pt\n0.006073 0.006073 0.006073 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Te",
"Pt"
],
"chemical_system": "Pt-Sb-Te",
"density": 9.979731283300982,
"density_atomic": 0.04056709949225301,
"volume": 295.8062111956416,
"volume_molar": 14.844888679187015,
"formula_full": "Sb4 Te4 Pt4",
"formula_reduced": "SbTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3931050888888894,
"spacegroup": 198
},
{
"id": "jvasp-10969",
"created_at": "2022-09-04T14:37:12.043369Z",
"updated_at": "2022-09-04T14:37:12.043388Z",
"structure_string": "K2 Th2 Cu2 S6\n1.0\n4.085172 0.000000 0.000000\n-2.042586 6.850014 -0.000000\n0.000000 0.000000 10.569499\nK Th Cu S\n2 2 2 6\ndirect\n0.744033 0.488067 0.250000 K\n0.255965 0.511932 0.750000 K\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.466742 0.933486 0.250000 Cu\n0.533256 0.066513 0.750000 Cu\n0.629415 0.258831 0.932799 S\n0.370583 0.741168 0.067201 S\n0.933667 0.867337 0.750000 S\n0.066331 0.132662 0.250000 S\n0.370583 0.741168 0.432799 S\n0.629415 0.258831 0.567201 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Th",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Th",
"density": 4.83811916029676,
"density_atomic": 0.04057187122622847,
"volume": 295.77142087157097,
"volume_molar": 14.843142743948352,
"formula_full": "K2 Th2 Cu2 S6",
"formula_reduced": "KThCuS3",
"formula_anonymous": "ABCD3",
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"spacegroup": 63
},
{
"id": "jvasp-56907",
"created_at": "2022-09-04T14:37:07.538345Z",
"updated_at": "2022-09-04T14:37:07.538368Z",
"structure_string": "Tm2 Zr2 Sb2\n1.0\n4.117006 -0.000000 -1.039425\n-0.262424 4.108634 -1.039425\n0.015424 0.016440 8.734222\nTm Zr Sb\n2 2 2\ndirect\n0.324466 0.324466 0.648932 Tm\n0.675535 0.675533 0.351069 Tm\n0.500001 -0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.136304 0.136304 0.272609 Sb\n0.863697 0.863695 0.727392 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zr",
"Sb"
],
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"density": 8.576949650060056,
"density_atomic": 0.04057276931252696,
"volume": 147.88243695624402,
"volume_molar": 14.842814188038792,
"formula_full": "Tm2 Zr2 Sb2",
"formula_reduced": "TmZrSb",
"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-94884",
"created_at": "2022-09-04T14:35:55.880447Z",
"updated_at": "2022-09-04T14:35:55.880473Z",
"structure_string": "Cr3 Te4\n1.0\n0.000000 3.994233 -0.000000\n0.024586 -0.000000 6.948019\n6.204959 -1.997116 -3.340092\nCr Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.740658 0.720571 0.481317 Cr\n0.259341 0.279430 0.518684 Cr\n0.632672 0.972490 0.265345 Te\n0.367327 0.027511 0.734656 Te\n0.880294 0.547133 0.760591 Te\n0.119705 0.452867 0.239410 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.413819006252052,
"density_atomic": 0.040573108223407865,
"volume": 172.52806862752226,
"volume_molar": 14.842690204655414,
"formula_full": "Cr3 Te4",
"formula_reduced": "Cr3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.9170147523809526,
"spacegroup": 12
},
{
"id": "jvasp-69131",
"created_at": "2022-09-04T14:36:05.180034Z",
"updated_at": "2022-09-04T14:36:05.180056Z",
"structure_string": "Ba1 Sr1 Ir2\n1.0\n4.831597 0.000000 0.000000\n0.000000 4.831597 -0.000000\n0.000000 0.000000 4.223161\nBa Sr Ir\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Sr",
"Ir"
],
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"density": 10.264054806395778,
"density_atomic": 0.040573357445559136,
"volume": 98.58686221289805,
"volume_molar": 14.842599033319928,
"formula_full": "Ba1 Sr1 Ir2",
"formula_reduced": "BaSrIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.15127612,
"spacegroup": 123
},
{
"id": "jvasp-28816",
"created_at": "2022-09-04T14:38:04.154241Z",
"updated_at": "2022-09-04T14:38:04.154258Z",
"structure_string": "W4 S8\n1.0\n3.193564 0.000003 -0.000025\n1.596784 2.765714 -0.000021\n-0.000261 -0.000115 33.481773\nW S\n4 8\ndirect\n0.666664 0.666655 0.276286 W\n0.666706 0.666707 0.650550 W\n0.333288 0.333288 0.089020 W\n0.333335 0.333345 0.463375 W\n0.666611 0.666606 0.042011 S\n0.666674 0.666676 0.416333 S\n0.333311 0.333320 0.229243 S\n0.333389 0.333377 0.603503 S\n0.666627 0.666641 0.136068 S\n0.666678 0.666670 0.510418 S\n0.333335 0.333334 0.323329 S\n0.333369 0.333375 0.697560 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.569511777813286,
"density_atomic": 0.040577953666242235,
"volume": 295.72708615868635,
"volume_molar": 14.840917828268807,
"formula_full": "W4 S8",
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"spacegroup": 164
},
{
"id": "jvasp-56253",
"created_at": "2022-09-04T14:37:18.414107Z",
"updated_at": "2022-09-04T14:37:18.414131Z",
"structure_string": "Nb6 Sb4 Te10\n1.0\n8.125953 -0.000000 -2.872958\n-4.062977 7.037282 -2.872958\n0.000000 0.000000 8.618875\nNb Sb Te\n6 4 10\ndirect\n-0.000000 0.342825 0.342824 Nb\n0.342825 -0.000000 0.342824 Nb\n0.657175 -0.000000 0.657175 Nb\n0.657175 0.657175 -0.000001 Nb\n0.342824 0.342825 -0.000000 Nb\n-0.000000 0.657175 0.657175 Nb\n0.667735 0.667735 0.667734 Sb\n-0.000000 -0.000000 0.332265 Sb\n0.332265 0.000000 -0.000000 Sb\n-0.000000 0.332265 -0.000000 Sb\n0.250000 0.500000 0.749999 Te\n0.326102 0.326102 0.326101 Te\n0.250000 0.750000 0.499999 Te\n-0.000000 0.673898 -0.000000 Te\n0.499999 0.750000 0.249999 Te\n0.750000 0.250000 0.499999 Te\n0.500000 0.250000 0.749999 Te\n0.673898 0.000000 -0.000000 Te\n-0.000000 -0.000000 0.673898 Te\n0.750000 0.500000 0.249999 Te\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
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"density": 7.8180197353413545,
"density_atomic": 0.040578889044334286,
"volume": 492.8671156607833,
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"formula_full": "Nb6 Sb4 Te10",
"formula_reduced": "Nb3Sb2Te5",
"formula_anonymous": "A2B3C5",
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"spacegroup": 217
},
{
"id": "jvasp-119562",
"created_at": "2022-09-04T14:38:35.511270Z",
"updated_at": "2022-09-04T14:38:35.511297Z",
"structure_string": "Cu4 Te8\n1.0\n6.662321 -0.000000 0.000000\n0.000000 6.662321 0.000000\n-0.000000 -0.000000 6.662321\nCu Te\n4 8\ndirect\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.123147 0.876853 0.376853 Te\n0.876853 0.376853 0.123147 Te\n0.376853 0.123147 0.876853 Te\n0.623147 0.623147 0.623147 Te\n0.876853 0.123147 0.623147 Te\n0.123147 0.623147 0.876853 Te\n0.623147 0.876853 0.123147 Te\n0.376853 0.376853 0.376853 Te\n",
"nsites": 12,
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"volume": 295.71725168838253,
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"spacegroup": 205
},
{
"id": "jvasp-114762",
"created_at": "2022-09-04T14:38:42.592041Z",
"updated_at": "2022-09-04T14:38:42.592060Z",
"structure_string": "Ag1 Pb1 O1\n1.0\n3.302357 -0.000000 0.000000\n-0.000000 3.302357 -0.000000\n-0.000000 -0.000000 6.779024\nAg Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.012381 Ag\n0.000000 0.000000 0.606666 Pb\n0.000000 0.000000 0.310576 O\n",
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}
]
}