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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3560",
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"results": [
{
"id": "jvasp-51116",
"created_at": "2022-09-04T14:36:52.405896Z",
"updated_at": "2022-09-04T14:36:52.405922Z",
"structure_string": "Ir1 Os1 W1\n1.0\n0.000000 2.996768 2.996768\n2.996768 0.000000 2.996768\n2.996768 2.996768 0.000000\nIr Os W\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Os\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
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"elements": [
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"W"
],
"chemical_system": "Ir-Os-W",
"density": 17.47013761008246,
"density_atomic": 0.055735498689274555,
"volume": 53.82565995731019,
"volume_molar": 10.804856692093919,
"formula_full": "Ir1 Os1 W1",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-58166",
"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
"nsites": 20,
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"Zn",
"Ir",
"O"
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"chemical_system": "Ir-O-Ti-Zn",
"density": 7.455560216247226,
"density_atomic": 0.09616317614798586,
"volume": 207.979819314848,
"volume_molar": 6.262418735766906,
"formula_full": "Ti2 Zn4 Ir2 O12",
"formula_reduced": "TiZn2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.190034123333333,
"spacegroup": 14
},
{
"id": "jvasp-39641",
"created_at": "2022-09-04T14:38:00.824533Z",
"updated_at": "2022-09-04T14:38:00.824562Z",
"structure_string": "V1 Ir1 O3\n1.0\n3.907985 -0.000000 0.000000\n-0.000000 3.907985 -0.000000\n-0.000000 -0.000000 3.907985\nV Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 Ir\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Ir",
"O"
],
"chemical_system": "Ir-O-V",
"density": 8.100600632591656,
"density_atomic": 0.0837744026959887,
"volume": 59.6841020537579,
"volume_molar": 7.188521274038703,
"formula_full": "V1 Ir1 O3",
"formula_reduced": "VIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.37727916,
"spacegroup": 221
},
{
"id": "jvasp-36628",
"created_at": "2022-09-04T14:37:17.912166Z",
"updated_at": "2022-09-04T14:37:17.912195Z",
"structure_string": "Zn1 Ir1 O3\n1.0\n3.903202 0.000000 -0.000000\n-0.000000 3.903202 0.000000\n0.000000 0.000000 3.903202\nZn Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Zn",
"density": 8.534414938991787,
"density_atomic": 0.08408275274768248,
"volume": 59.46522725063627,
"volume_molar": 7.162159376574388,
"formula_full": "Zn1 Ir1 O3",
"formula_reduced": "ZnIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1021684,
"spacegroup": 221
},
{
"id": "jvasp-11150",
"created_at": "2022-09-04T14:37:11.117245Z",
"updated_at": "2022-09-04T14:37:11.117259Z",
"structure_string": "P12 Ir4\n1.0\n6.627006 -0.000000 -2.343000\n-3.313503 5.739155 -2.343000\n-0.000000 -0.000000 7.029001\nP Ir\n12 4\ndirect\n0.506870 0.860773 0.646097 P\n0.214677 0.860773 0.353904 P\n0.785324 0.139228 0.646096 P\n0.139228 0.353904 0.493131 P\n0.493132 0.139228 0.353904 P\n0.139228 0.646097 0.785324 P\n0.353904 0.214677 0.860773 P\n0.860774 0.646097 0.506869 P\n0.646097 0.785324 0.139228 P\n0.860773 0.353904 0.214677 P\n0.646097 0.506869 0.860773 P\n0.353905 0.493132 0.139228 P\n0.500000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500001 0.500000 0.500000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 7.084442838132842,
"density_atomic": 0.05984957346927936,
"volume": 267.33690939690257,
"volume_molar": 10.062128117071962,
"formula_full": "P12 Ir4",
"formula_reduced": "P3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2255419,
"spacegroup": 204
},
{
"id": "jvasp-10660",
"created_at": "2022-09-04T14:37:10.126981Z",
"updated_at": "2022-09-04T14:37:10.127000Z",
"structure_string": "P8 Ir4\n1.0\n0.000000 5.823352 -0.001189\n5.858481 0.000000 0.000000\n0.000000 -2.153317 -5.517756\nP Ir\n8 4\ndirect\n0.842180 0.118820 0.130047 P\n0.157819 0.618820 0.369954 P\n0.157819 0.881180 0.869954 P\n0.842180 0.381180 0.630047 P\n0.665742 0.623600 0.811981 P\n0.334258 0.123600 0.688020 P\n0.334258 0.376400 0.188020 P\n0.665742 0.876400 0.311981 P\n0.728450 0.500920 0.208999 Ir\n0.271549 0.000920 0.291001 Ir\n0.271549 0.499079 0.791002 Ir\n0.728450 0.999079 0.709000 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 8.96744780307659,
"density_atomic": 0.06374205821117153,
"volume": 188.25874684254958,
"volume_molar": 9.447672273225328,
"formula_full": "P8 Ir4",
"formula_reduced": "P2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8917407000000006,
"spacegroup": 14
},
{
"id": "jvasp-20571",
"created_at": "2022-09-04T14:38:11.505934Z",
"updated_at": "2022-09-04T14:38:11.505965Z",
"structure_string": "P1 Ir2\n1.0\n3.435979 0.000000 1.983764\n1.145326 3.239472 1.983764\n0.000000 0.000000 3.967527\nP Ir\n1 2\ndirect\n0.000000 0.000000 0.000000 P\n0.750001 0.750000 0.749999 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 15.619929966838285,
"density_atomic": 0.06793234904995536,
"volume": 44.161581955511245,
"volume_molar": 8.864908757345493,
"formula_full": "P1 Ir2",
"formula_reduced": "PIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.512032566666667,
"spacegroup": 225
},
{
"id": "jvasp-20384",
"created_at": "2022-09-04T14:37:34.934608Z",
"updated_at": "2022-09-04T14:37:34.934643Z",
"structure_string": "P1 Ir2\n1.0\n3.435979 0.000000 1.983764\n1.145326 3.239472 1.983764\n0.000000 0.000000 3.967527\nP Ir\n1 2\ndirect\n0.000000 0.000000 0.000000 P\n0.750001 0.750000 0.749999 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 15.619929966838285,
"density_atomic": 0.06793234904995536,
"volume": 44.161581955511245,
"volume_molar": 8.864908757345493,
"formula_full": "P1 Ir2",
"formula_reduced": "PIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.512032566666667,
"spacegroup": 225
},
{
"id": "jvasp-116213",
"created_at": "2022-09-04T14:38:41.096884Z",
"updated_at": "2022-09-04T14:38:41.096908Z",
"structure_string": "P2 Ir1\n1.0\n4.953179 0.000000 0.000000\n0.000000 3.764598 0.000000\n0.000000 0.000000 2.822853\nP Ir\n2 1\ndirect\n0.282131 -0.049336 0.000000 P\n0.717869 -0.049336 0.000000 P\n0.000000 0.450672 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 8.01813079870313,
"density_atomic": 0.05699416058383685,
"volume": 52.63697138914928,
"volume_molar": 10.56624169618499,
"formula_full": "P2 Ir1",
"formula_reduced": "P2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1060307000000007,
"spacegroup": 47
},
{
"id": "jvasp-18728",
"created_at": "2022-09-04T14:37:01.955458Z",
"updated_at": "2022-09-04T14:37:01.955483Z",
"structure_string": "Pa1 Ir3\n1.0\n4.098839 0.000000 -0.000000\n0.000000 4.098839 -0.000000\n0.000000 0.000000 4.098839\nPa Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Ir"
],
"chemical_system": "Ir-Pa",
"density": 19.476438609803612,
"density_atomic": 0.05808679465105037,
"volume": 68.86246734786336,
"volume_molar": 10.367486786243425,
"formula_full": "Pa1 Ir3",
"formula_reduced": "PaIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.432861600000001,
"spacegroup": 221
},
{
"id": "jvasp-109085",
"created_at": "2022-09-04T14:38:18.488410Z",
"updated_at": "2022-09-04T14:38:18.488441Z",
"structure_string": "Yb1 Pa1 Ir2\n1.0\n4.185676 0.000000 2.416601\n1.395225 3.946294 2.416601\n-0.000000 0.000000 4.833203\nYb Pa Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.499999 Pa\n0.250001 0.250000 0.250000 Ir\n0.750002 0.749999 0.749999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pa",
"Ir"
],
"chemical_system": "Ir-Pa-Yb",
"density": 16.400842399160272,
"density_atomic": 0.050103712863788806,
"volume": 79.83440290890896,
"volume_molar": 12.019350295200079,
"formula_full": "Yb1 Pa1 Ir2",
"formula_reduced": "YbPaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.091814,
"spacegroup": 225
},
{
"id": "jvasp-79242",
"created_at": "2022-09-04T14:36:36.576444Z",
"updated_at": "2022-09-04T14:36:36.576474Z",
"structure_string": "Ir2 Pb2\n1.0\n4.202287 0.000000 0.000000\n-2.101144 3.639287 -0.000000\n0.000000 -0.000000 5.672239\nIr Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.333334 0.666667 0.250000 Pb\n0.666668 0.333333 0.750000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
],
"chemical_system": "Ir-Pb",
"density": 15.291465214779114,
"density_atomic": 0.04611088460524559,
"volume": 86.74741407032037,
"volume_molar": 13.060128452436846,
"formula_full": "Ir2 Pb2",
"formula_reduced": "IrPb",
"formula_anonymous": "AB",
"energy_above_hull": 1.74516596,
"spacegroup": 194
}
]
}