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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4460",
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"results": [
{
"id": "jvasp-39852",
"created_at": "2022-09-04T14:37:46.997213Z",
"updated_at": "2022-09-04T14:37:46.997236Z",
"structure_string": "Ti2 Tc1 Pt1\n1.0\n-0.000000 3.123287 3.123287\n3.123287 -0.000000 3.123287\n3.123287 3.123287 0.000000\nTi Tc Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Pt\n",
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"Tc",
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"volume": 60.934840165615604,
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"formula_full": "Ti2 Tc1 Pt1",
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{
"id": "jvasp-14695",
"created_at": "2022-09-04T14:36:56.688041Z",
"updated_at": "2022-09-04T14:36:56.688064Z",
"structure_string": "Te2 Pt1\n1.0\n2.040490 -3.534232 0.000000\n2.040490 3.534232 -0.000000\n-0.000000 0.000000 5.382280\nTe Pt\n2 1\ndirect\n0.333333 0.666667 0.257125 Te\n0.666667 0.333333 0.742875 Te\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 77.62932471424158,
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"formula_full": "Te2 Pt1",
"formula_reduced": "Te2Pt",
"formula_anonymous": "AB2",
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"spacegroup": 164
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{
"id": "jvasp-29634",
"created_at": "2022-09-04T14:37:07.324504Z",
"updated_at": "2022-09-04T14:37:07.324531Z",
"structure_string": "Te6 Pt4\n1.0\n4.049824 -0.000000 -0.000000\n-2.024911 3.475137 -0.473018\n-0.000000 0.049143 17.705142\nTe Pt\n6 4\ndirect\n0.244901 0.489800 0.734809 Te\n0.962488 0.924977 0.887576 Te\n0.858521 0.717042 0.575747 Te\n0.755099 0.510200 0.265191 Te\n0.037512 0.075023 0.112424 Te\n0.141479 0.282958 0.424253 Te\n0.551427 0.102855 0.654435 Pt\n0.448572 0.897145 0.345564 Pt\n0.347304 0.694606 0.041865 Pt\n0.652696 0.305394 0.958135 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pt-Te",
"density": 10.298383630635456,
"density_atomic": 0.04011700086264811,
"volume": 249.27087730804766,
"volume_molar": 15.011443105177527,
"formula_full": "Te6 Pt4",
"formula_reduced": "Te3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6286812200000005,
"spacegroup": 166
},
{
"id": "jvasp-54999",
"created_at": "2022-09-04T14:37:30.619312Z",
"updated_at": "2022-09-04T14:37:30.619332Z",
"structure_string": "Te2 Pt2\n1.0\n2.143339 -3.712372 0.000000\n2.143339 3.712372 -0.000000\n0.000000 -0.000000 5.649535\nTe Pt\n2 2\ndirect\n0.666667 0.333333 0.250000 Te\n0.333333 0.666667 0.749999 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 11.919868682413503,
"density_atomic": 0.04449128377670821,
"volume": 89.9052502075486,
"volume_molar": 13.535551795321924,
"formula_full": "Te2 Pt2",
"formula_reduced": "TePt",
"formula_anonymous": "AB",
"energy_above_hull": 1.0939145833333332,
"spacegroup": 194
},
{
"id": "jvasp-16640",
"created_at": "2022-09-04T14:38:32.775972Z",
"updated_at": "2022-09-04T14:38:32.775998Z",
"structure_string": "Te2 Pt2\n1.0\n3.874971 0.021033 6.103115\n1.789603 3.437028 6.103115\n0.034454 0.021033 7.229261\nTe Pt\n2 2\ndirect\n0.902221 0.902222 0.902223 Te\n0.097777 0.097777 0.097778 Te\n0.630352 0.630352 0.630353 Pt\n0.369647 0.369647 0.369648 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 11.27777409974181,
"density_atomic": 0.042094645604738946,
"volume": 95.02396189670466,
"volume_molar": 14.306191852870803,
"formula_full": "Te2 Pt2",
"formula_reduced": "TePt",
"formula_anonymous": "AB",
"energy_above_hull": 1.0164345833333333,
"spacegroup": 166
},
{
"id": "jvasp-278",
"created_at": "2022-09-04T14:38:04.622402Z",
"updated_at": "2022-09-04T14:38:04.622425Z",
"structure_string": "Te2 Pt1\n1.0\n2.040489 -3.534230 0.000000\n2.040489 3.534230 0.000000\n0.000000 -0.000000 5.382274\nTe Pt\n2 1\ndirect\n0.333333 0.666667 0.257125 Te\n0.666667 0.333333 0.742874 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
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],
"chemical_system": "Pt-Te",
"density": 9.631872992761842,
"density_atomic": 0.03864527384821538,
"volume": 77.62915620116736,
"volume_molar": 15.583123524115226,
"formula_full": "Te2 Pt1",
"formula_reduced": "Te2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1923656444444446,
"spacegroup": 164
},
{
"id": "jvasp-16077",
"created_at": "2022-09-04T14:36:51.335736Z",
"updated_at": "2022-09-04T14:36:51.335758Z",
"structure_string": "Te4 Pt3\n1.0\n3.979124 0.001568 0.668810\n1.931860 3.478700 0.668810\n-0.041451 -0.024405 12.425441\nTe Pt\n4 3\ndirect\n0.945805 0.945807 0.162484 Te\n0.054193 0.054195 0.837516 Te\n0.794990 0.794993 0.614933 Te\n0.205008 0.205009 0.385067 Te\n0.646503 0.646505 0.060448 Pt\n0.499999 0.500001 0.500000 Pt\n0.353495 0.353497 0.939552 Pt\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 10.57238067652873,
"density_atomic": 0.04067701718890097,
"volume": 172.0873476905284,
"volume_molar": 14.804774725820327,
"formula_full": "Te4 Pt3",
"formula_reduced": "Te4Pt3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.8274607523809523,
"spacegroup": 166
},
{
"id": "jvasp-4627",
"created_at": "2022-09-04T14:36:53.832674Z",
"updated_at": "2022-09-04T14:36:53.832694Z",
"structure_string": "Tl2 Te6 Pt4\n1.0\n4.022094 -6.966470 0.000000\n4.022094 6.966470 0.000000\n0.000000 0.000000 5.868668\nTl Te Pt\n2 6 4\ndirect\n0.666667 0.333333 0.686579 Tl\n0.333333 0.666667 0.313421 Tl\n0.830743 0.169256 0.232017 Te\n0.830743 0.661486 0.232017 Te\n0.338513 0.169257 0.232017 Te\n0.661486 0.830743 0.767983 Te\n0.169256 0.830743 0.767983 Te\n0.169257 0.338513 0.767983 Te\n0.000000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Te",
"Pt"
],
"chemical_system": "Pt-Te-Tl",
"density": 9.869502547842943,
"density_atomic": 0.03648771957114816,
"volume": 328.8777742495239,
"volume_molar": 16.5045687447178,
"formula_full": "Tl2 Te6 Pt4",
"formula_reduced": "TlTe3Pt2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.29042145,
"spacegroup": 164
},
{
"id": "jvasp-103648",
"created_at": "2022-09-04T14:36:52.746164Z",
"updated_at": "2022-09-04T14:36:52.746189Z",
"structure_string": "Zr6 Te2 Pt1\n1.0\n7.792240 -0.000000 0.000000\n-3.896120 6.748278 0.000000\n0.000000 -0.000000 3.770213\nZr Te Pt\n6 2 1\ndirect\n0.249534 0.000000 0.500000 Zr\n0.000000 0.249535 0.500000 Zr\n0.750466 0.750466 0.500000 Zr\n0.592328 0.000000 -0.000000 Zr\n0.000000 0.592328 -0.000000 Zr\n0.407672 0.407672 -0.000000 Zr\n0.333333 0.666667 0.500000 Te\n0.666667 0.333333 0.500000 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Te",
"Pt"
],
"chemical_system": "Pt-Te-Zr",
"density": 8.355963900112965,
"density_atomic": 0.04539639197016702,
"volume": 198.25364108042987,
"volume_molar": 13.265681475209636,
"formula_full": "Zr6 Te2 Pt1",
"formula_reduced": "Zr6Te2Pt",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.905873770370371,
"spacegroup": 189
},
{
"id": "jvasp-91642",
"created_at": "2022-09-04T14:36:11.345162Z",
"updated_at": "2022-09-04T14:36:11.345191Z",
"structure_string": "Th3 Pt5\n1.0\n0.000000 0.000000 -3.621620\n-3.863865 -6.692411 0.000000\n-3.864029 6.692505 0.000000\nTh Pt\n3 5\ndirect\n0.000000 0.721889 0.000000 Th\n0.000000 0.278081 0.278095 Th\n0.000000 -0.000014 0.721906 Th\n0.000000 0.333322 0.666656 Pt\n0.000000 0.666666 0.333345 Pt\n0.500000 0.334991 0.000000 Pt\n0.500000 0.664985 0.665005 Pt\n0.500000 -0.000019 0.334996 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Pt"
],
"chemical_system": "Pt-Th",
"density": 14.818855680570783,
"density_atomic": 0.0427110547467777,
"volume": 187.30513791873878,
"volume_molar": 14.099723820223229,
"formula_full": "Th3 Pt5",
"formula_reduced": "Th3Pt5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.2742492250000006,
"spacegroup": 189
},
{
"id": "jvasp-41529",
"created_at": "2022-09-04T14:37:28.922182Z",
"updated_at": "2022-09-04T14:37:28.922201Z",
"structure_string": "Th2 Pt6\n1.0\n2.972690 -5.148851 0.000000\n2.972690 5.148851 -0.000000\n0.000000 0.000000 5.036293\nTh Pt\n2 6\ndirect\n0.666667 0.333333 0.250000 Th\n0.333333 0.666667 0.750000 Th\n0.839756 0.679513 0.750000 Pt\n0.839756 0.160244 0.750000 Pt\n0.320488 0.160244 0.750000 Pt\n0.160244 0.320488 0.250000 Pt\n0.160244 0.839756 0.250000 Pt\n0.679513 0.839756 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pt-Th",
"density": 17.60574388046611,
"density_atomic": 0.051890643509999515,
"volume": 154.17037559879887,
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"formula_full": "Th2 Pt6",
"formula_reduced": "ThPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.52472995,
"spacegroup": 194
},
{
"id": "jvasp-16828",
"created_at": "2022-09-04T14:38:02.190302Z",
"updated_at": "2022-09-04T14:38:02.190332Z",
"structure_string": "Th2 Pt2\n1.0\n3.723587 0.000000 -1.309467\n-0.000000 4.489288 0.000000\n0.008375 0.000000 5.972724\nTh Pt\n2 2\ndirect\n0.136356 0.750000 0.272711 Th\n0.863644 0.250000 0.727287 Th\n0.403230 0.750000 0.806462 Pt\n0.596769 0.250000 0.193537 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pt-Th",
"density": 14.200563340581532,
"density_atomic": 0.04004372489579719,
"volume": 99.89080712168767,
"volume_molar": 15.03891252792034,
"formula_full": "Th2 Pt2",
"formula_reduced": "ThPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.3551385000000002,
"spacegroup": 63
}
]
}