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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&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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{
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"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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"Si"
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"volume": 147.9044408212983,
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"formula_full": "Pr2 Sc2 Si2",
"formula_reduced": "PrScSi",
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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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"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,
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"elements": [
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"Th",
"Cu",
"S"
],
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"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,
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"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",
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"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,
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"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,
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"elements": [
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],
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"density": 7.8180197353413545,
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"volume": 492.8671156607833,
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"formula_full": "Nb6 Sb4 Te10",
"formula_reduced": "Nb3Sb2Te5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.8684369233333333,
"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",
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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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}
]
}