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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4524",
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"results": [
{
"id": "jvasp-35764",
"created_at": "2022-09-04T14:37:33.074705Z",
"updated_at": "2022-09-04T14:37:33.074726Z",
"structure_string": "Tb1 Sb2\n1.0\n3.419961 0.000000 0.000000\n-1.709980 3.145096 0.000000\n0.000000 0.000000 8.347151\nTb Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500001 0.697393 Sb\n0.500000 0.500001 0.302607 Sb\n",
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"volume_molar": 18.022829634327625,
"formula_full": "Tb1 Sb2",
"formula_reduced": "TbSb2",
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{
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"created_at": "2022-09-04T14:36:17.659543Z",
"updated_at": "2022-09-04T14:36:17.659572Z",
"structure_string": "Tb2 Zr2 Sb2\n1.0\n4.146184 0.000000 -1.041530\n-0.261635 4.137921 -1.041530\n0.023086 0.024591 8.865351\nTb Zr Sb\n2 2 2\ndirect\n0.676737 0.676736 0.353473 Tb\n0.323264 0.323263 0.646527 Tb\n0.000001 0.500000 0.000000 Zr\n0.500000 0.000000 -0.000000 Zr\n0.133352 0.133352 0.266704 Sb\n0.866649 0.866648 0.733296 Sb\n",
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"elements": [
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"Sb"
],
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"density": 8.109301873877294,
"density_atomic": 0.03939295209977696,
"volume": 152.3115095513233,
"volume_molar": 15.287355831435887,
"formula_full": "Tb2 Zr2 Sb2",
"formula_reduced": "TbZrSb",
"formula_anonymous": "ABC",
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"spacegroup": 139
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{
"id": "jvasp-80021",
"created_at": "2022-09-04T14:37:18.305947Z",
"updated_at": "2022-09-04T14:37:18.305983Z",
"structure_string": "Ti1 Tc2 Sb1\n1.0\n0.000000 3.171928 3.171928\n3.171928 0.000000 3.171928\n3.171928 3.171928 -0.000000\nTi Tc Sb\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Sb"
],
"chemical_system": "Sb-Tc-Ti",
"density": 9.512340744678674,
"density_atomic": 0.0626700489201668,
"volume": 63.826342390373135,
"volume_molar": 9.609280451769546,
"formula_full": "Ti1 Tc2 Sb1",
"formula_reduced": "TiTc2Sb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106749",
"created_at": "2022-09-04T14:36:55.288501Z",
"updated_at": "2022-09-04T14:36:55.288526Z",
"structure_string": "Sb1 Te1\n1.0\n3.687049 -0.250155 2.563594\n1.205484 3.493382 2.563594\n-0.377369 -0.250155 4.474812\nSb Te\n1 1\ndirect\n0.500000 0.499998 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.44980058822094,
"density_atomic": 0.03115303739943866,
"volume": 64.19919747652078,
"volume_molar": 19.33083019413225,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8407719333333336,
"spacegroup": 225
},
{
"id": "jvasp-15721",
"created_at": "2022-09-04T14:36:52.540131Z",
"updated_at": "2022-09-04T14:36:52.540138Z",
"structure_string": "Sb6 Te3\n1.0\n2.184663 -3.783947 -0.000000\n2.184663 3.783947 0.000000\n-0.000000 -0.000000 17.866264\nSb Te\n6 3\ndirect\n0.000000 0.000000 0.346782 Sb\n0.000000 0.000000 0.653217 Sb\n0.666667 0.333332 0.566749 Sb\n0.333332 0.666667 0.110611 Sb\n0.666667 0.333332 0.889389 Sb\n0.333332 0.666667 0.433251 Sb\n0.000000 0.000000 0.000000 Te\n0.666667 0.333332 0.206320 Te\n0.333332 0.666667 0.793680 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.258805719548746,
"density_atomic": 0.030468373339330383,
"volume": 295.3882670323678,
"volume_molar": 19.765219143570956,
"formula_full": "Sb6 Te3",
"formula_reduced": "Sb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1993133222222228,
"spacegroup": 164
},
{
"id": "jvasp-10173",
"created_at": "2022-09-04T14:37:18.649194Z",
"updated_at": "2022-09-04T14:37:18.649221Z",
"structure_string": "Sb6 Te6\n1.0\n2.179274 -3.774614 0.000000\n2.179274 3.774614 -0.000000\n-0.000000 0.000000 24.256050\nSb Te\n6 6\ndirect\n0.000000 0.000000 0.872047 Sb\n0.000000 0.000000 0.127953 Sb\n0.333332 0.666666 0.708078 Sb\n0.666666 0.333332 0.291922 Sb\n0.333332 0.666666 0.467938 Sb\n0.666666 0.333332 0.532062 Sb\n0.333332 0.666666 0.942373 Te\n0.666666 0.333332 0.057627 Te\n0.333332 0.666666 0.210241 Te\n0.666666 0.333332 0.789759 Te\n0.000000 0.000000 0.637300 Te\n0.000000 0.000000 0.362700 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Sb-Te",
"density": 6.225764351871024,
"density_atomic": 0.030070924990787663,
"volume": 399.05656389606384,
"volume_molar": 20.026456658200253,
"formula_full": "Sb6 Te6",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.7861019333333336,
"spacegroup": 164
},
{
"id": "jvasp-1070",
"created_at": "2022-09-04T14:37:10.044239Z",
"updated_at": "2022-09-04T14:37:10.044263Z",
"structure_string": "Sb2 Te3\n1.0\n4.259469 0.003256 9.647916\n2.037601 3.740490 9.647916\n0.005477 0.003256 10.546342\nSb Te\n2 3\ndirect\n0.601651 0.601653 0.601651 Sb\n0.398348 0.398349 0.398348 Sb\n0.787458 0.787460 0.787457 Te\n0.212542 0.212542 0.212542 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 5,
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"elements": [
"Sb",
"Te"
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"chemical_system": "Sb-Te",
"density": 6.202004870505626,
"density_atomic": 0.029816504612097325,
"volume": 167.69235914968286,
"volume_molar": 20.19733982351728,
"formula_full": "Sb2 Te3",
"formula_reduced": "Sb2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2426511000000002,
"spacegroup": 166
},
{
"id": "jvasp-35103",
"created_at": "2022-09-04T14:37:39.893740Z",
"updated_at": "2022-09-04T14:37:39.893769Z",
"structure_string": "Th2 Sb2 Te2\n1.0\n4.455184 0.000000 0.000000\n-0.000000 4.455184 0.000000\n-0.000000 -0.000000 9.185594\nTh Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.735125 Th\n0.000000 0.500000 0.264875 Th\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.370315 Te\n0.000000 0.500000 0.629685 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Sb",
"Te"
],
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"density": 8.768895461588304,
"density_atomic": 0.032908850607536164,
"volume": 182.32177329906483,
"volume_molar": 18.299456373662967,
"formula_full": "Th2 Sb2 Te2",
"formula_reduced": "ThSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.387233155555556,
"spacegroup": 129
},
{
"id": "jvasp-13266",
"created_at": "2022-09-04T14:37:45.129034Z",
"updated_at": "2022-09-04T14:37:45.129053Z",
"structure_string": "Tl9 Sb1 Te6\n1.0\n8.924735 0.000842 -0.002199\n-0.000881 8.924807 -0.002512\n-4.460291 -4.460910 6.695643\nTl Sb Te\n9 1 6\ndirect\n0.010919 0.803009 0.301438 Tl\n0.482246 0.980238 0.667955 Tl\n0.995111 0.995118 0.990258 Tl\n0.185721 0.687732 0.667944 Tl\n0.290535 0.498451 0.301449 Tl\n0.803019 0.290522 0.301451 Tl\n0.687729 0.482223 0.667943 Tl\n0.980204 0.185700 0.667952 Tl\n0.498412 0.010906 0.301407 Tl\n0.500435 0.500435 0.000881 Sb\n0.725543 0.725544 0.451094 Te\n0.642461 0.815825 0.984952 Te\n0.169127 0.642443 0.984936 Te\n0.250101 0.250097 0.500188 Te\n0.815839 0.342518 0.984985 Te\n0.342502 0.169139 0.984963 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tl",
"density": 8.493177877872714,
"density_atomic": 0.03001140135181002,
"volume": 533.1307196368231,
"volume_molar": 20.06617648208153,
"formula_full": "Tl9 Sb1 Te6",
"formula_reduced": "Tl9SbTe6",
"formula_anonymous": "AB6C9",
"energy_above_hull": 0.0834866312500001,
"spacegroup": 79
},
{
"id": "jvasp-8063",
"created_at": "2022-09-04T14:36:38.842343Z",
"updated_at": "2022-09-04T14:36:38.842362Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n4.321706 -0.001916 7.074863\n1.988457 3.837080 7.074863\n-0.003152 -0.001916 8.290405\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500002 0.499999 0.499999 Sb\n0.240215 0.240213 0.240213 Te\n0.759788 0.759784 0.759784 Te\n",
"nsites": 4,
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"elements": [
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"volume": 137.62638463290511,
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"formula_full": "Tl1 Sb1 Te2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-78941",
"created_at": "2022-09-04T14:37:01.982481Z",
"updated_at": "2022-09-04T14:37:01.982500Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n10.314787 4.793402 32.035701\n1.284679 2.202096 9.058772\n-6.154285 -4.318336 -15.409345\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n-0.000001 0.500000 -0.000001 Sb\n0.519771 0.200175 -0.000000 Te\n0.480230 -0.200178 0.000000 Te\n",
"nsites": 4,
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"density": 7.0164036439168855,
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"volume": 137.58376937066635,
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"formula_full": "Tl1 Sb1 Te2",
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},
{
"id": "jvasp-108723",
"created_at": "2022-09-04T14:38:19.217070Z",
"updated_at": "2022-09-04T14:38:19.217098Z",
"structure_string": "Tm2 Sb1 Te1\n1.0\n4.141902 0.004580 6.223384\n1.885032 3.688093 6.223384\n0.007476 0.004580 7.475680\nTm Sb Te\n2 1 1\ndirect\n0.254117 0.254117 0.254117 Tm\n0.745883 0.745882 0.745882 Tm\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
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"volume": 113.89614492455144,
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"formula_full": "Tm2 Sb1 Te1",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
}
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}