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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=122",
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"results": [
{
"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,
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"elements": [
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"density": 8.768895461588304,
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"volume": 182.32177329906483,
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"formula_full": "Th2 Sb2 Te2",
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"spacegroup": 129
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{
"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,
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"elements": [
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"chemical_system": "Sb-Te",
"density": 6.225764351871024,
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"volume": 399.05656389606384,
"volume_molar": 20.026456658200253,
"formula_full": "Sb6 Te6",
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},
{
"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": [
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"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-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,
"nelements": 2,
"elements": [
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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-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": [
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"Te"
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"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-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",
"energy_above_hull": 4.011724358333333,
"spacegroup": 225
},
{
"id": "jvasp-15312",
"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",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Zr",
"Sb"
],
"chemical_system": "Sb-Tb-Zr",
"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",
"energy_above_hull": 1.9052463333333336,
"spacegroup": 139
},
{
"id": "jvasp-57678",
"created_at": "2022-09-04T14:38:35.261572Z",
"updated_at": "2022-09-04T14:38:35.261598Z",
"structure_string": "Tb8 Sb6\n1.0\n7.519363 -0.000000 -2.658496\n-3.759681 6.511959 -2.658496\n-0.000000 -0.000000 7.975488\nTb Sb\n8 6\ndirect\n0.355662 0.500000 -0.000000 Tb\n0.644338 0.644339 0.644338 Tb\n0.500000 0.000000 0.355661 Tb\n0.000000 0.355662 0.500000 Tb\n0.500000 0.000000 0.855662 Tb\n0.000000 0.855662 0.500000 Tb\n0.855661 0.500000 -0.000001 Tb\n0.144338 0.144338 0.144338 Tb\n0.750000 0.875000 0.124999 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 8.512460823999746,
"density_atomic": 0.03584908382880968,
"volume": 390.52601921026144,
"volume_molar": 16.798590415190418,
"formula_full": "Tb8 Sb6",
"formula_reduced": "Tb4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5730974142857144,
"spacegroup": 220
},
{
"id": "jvasp-15031",
"created_at": "2022-09-04T14:36:46.028749Z",
"updated_at": "2022-09-04T14:36:46.028770Z",
"structure_string": "Tb1 Sb1\n1.0\n3.800759 0.000000 2.194369\n1.266920 3.583390 2.194369\n0.000000 0.000000 4.388739\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sb-Tb",
"density": 7.79766690470082,
"density_atomic": 0.03345999192044027,
"volume": 59.77287755345292,
"volume_molar": 17.998034112856896,
"formula_full": "Tb1 Sb1",
"formula_reduced": "TbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.4166372499999999,
"spacegroup": 225
},
{
"id": "jvasp-98879",
"created_at": "2022-09-04T14:35:47.759849Z",
"updated_at": "2022-09-04T14:35:47.759865Z",
"structure_string": "Tb8 Sb20\n1.0\n4.228018 0.000000 0.000000\n0.000000 12.954195 -2.797181\n0.000000 0.025810 14.737236\nTb Sb\n8 20\ndirect\n0.750000 0.661497 0.144743 Tb\n0.250000 0.046897 0.362218 Tb\n0.250000 0.338504 0.855257 Tb\n0.250000 0.331302 0.577698 Tb\n0.750000 0.953103 0.637783 Tb\n0.750000 0.668698 0.422302 Tb\n0.250000 0.608247 0.770656 Tb\n0.750000 0.391754 0.229345 Tb\n0.250000 0.574349 0.551063 Sb\n0.750000 0.425500 0.734595 Sb\n0.250000 0.574500 0.265406 Sb\n0.250000 0.029258 0.090720 Sb\n0.750000 0.970743 0.909281 Sb\n0.250000 0.277740 0.061715 Sb\n0.250000 0.580567 0.975324 Sb\n0.750000 0.143829 0.518058 Sb\n0.750000 0.140288 0.221325 Sb\n0.750000 0.425652 0.448937 Sb\n0.250000 0.283799 0.347003 Sb\n0.750000 0.860913 0.321199 Sb\n0.250000 0.847516 0.170619 Sb\n0.250000 0.859712 0.778675 Sb\n0.750000 0.722261 0.938285 Sb\n0.250000 0.856171 0.481942 Sb\n0.250000 0.139087 0.678801 Sb\n0.750000 0.152484 0.829382 Sb\n0.750000 0.716202 0.652997 Sb\n0.750000 0.419434 0.024677 Sb\n",
"nsites": 28,
"nelements": 2,
"elements": [
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],
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"density": 7.62250374883338,
"density_atomic": 0.034676122701332836,
"volume": 807.4720533539862,
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"formula_full": "Tb8 Sb20",
"formula_reduced": "Tb2Sb5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.6826424714285717,
"spacegroup": 11
},
{
"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",
"nsites": 3,
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"elements": [
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"chemical_system": "Sb-Tb",
"density": 7.44325129158032,
"density_atomic": 0.03341395819738417,
"volume": 89.78283812645867,
"volume_molar": 18.022829634327625,
"formula_full": "Tb1 Sb2",
"formula_reduced": "TbSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.305156866666667,
"spacegroup": 21
},
{
"id": "jvasp-14974",
"created_at": "2022-09-04T14:35:58.908381Z",
"updated_at": "2022-09-04T14:35:58.908405Z",
"structure_string": "Ta5 Sb4\n1.0\n3.491584 -0.000000 0.854476\n1.745792 7.323859 0.427238\n0.004839 -0.000000 7.541168\nTa Sb\n5 4\ndirect\n0.625371 0.060217 0.689041 Ta\n0.314411 0.310960 0.060217 Ta\n0.685588 0.689040 0.939784 Ta\n0.374628 0.939783 0.310961 Ta\n0.000000 0.000000 0.000000 Ta\n0.704060 0.241722 0.350157 Sb\n0.054217 0.649844 0.241722 Sb\n0.945782 0.350156 0.758279 Sb\n0.295938 0.758278 0.649844 Sb\n",
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"elements": [
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"density": 11.986340778290662,
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"volume": 192.81147670813073,
"volume_molar": 12.90153169866472,
"formula_full": "Ta5 Sb4",
"formula_reduced": "Ta5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.248972266666666,
"spacegroup": 87
}
]
}