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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1083",
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"results": [
{
"id": "jvasp-15079",
"created_at": "2022-09-04T14:35:43.509406Z",
"updated_at": "2022-09-04T14:35:43.509433Z",
"structure_string": "Pu2 Ir4\n1.0\n4.577835 -0.000000 2.643014\n1.525945 4.316025 2.643014\n-0.000000 -0.000000 5.286029\nPu Ir\n2 4\ndirect\n0.874998 0.874999 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.499999 0.500000 Ir\n0.499999 0.499999 -0.000000 Ir\n-0.000000 0.499999 0.500000 Ir\n0.499999 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"Ir"
],
"chemical_system": "Ir-Pu",
"density": 19.98320475753841,
"density_atomic": 0.05744835826549111,
"volume": 104.44162690031412,
"volume_molar": 10.482702973284903,
"formula_full": "Pu2 Ir4",
"formula_reduced": "PuIr2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-93774",
"created_at": "2022-09-04T14:35:57.235984Z",
"updated_at": "2022-09-04T14:35:57.236003Z",
"structure_string": "U1 Ir1 Pt4\n1.0\n-3.729959 -3.729959 0.000000\n-3.729959 -0.000000 -3.729959\n0.000000 -3.729959 -3.729959\nU Ir Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 Ir\n0.873995 0.375335 0.375335 Pt\n0.375335 0.873995 0.375335 Pt\n0.375335 0.375335 0.873995 Pt\n0.375335 0.375335 0.375335 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-U",
"density": 19.36872832409198,
"density_atomic": 0.057810813487303575,
"volume": 103.78681146422065,
"volume_molar": 10.416979794485307,
"formula_full": "U1 Ir1 Pt4",
"formula_reduced": "UIrPt4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-105269",
"created_at": "2022-09-04T14:36:47.740147Z",
"updated_at": "2022-09-04T14:36:47.740175Z",
"structure_string": "Tm2 Ir1 Pt1\n1.0\n4.174399 -0.000000 2.410091\n1.391466 3.935662 2.410091\n-0.000000 -0.000000 4.820181\nTm Ir Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750001 0.750000 0.749999 Tm\n0.500001 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-Tm",
"density": 15.20594731870443,
"density_atomic": 0.050510875196049014,
"volume": 79.19086700586178,
"volume_molar": 11.922463700393484,
"formula_full": "Tm2 Ir1 Pt1",
"formula_reduced": "Tm2IrPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.18292025,
"spacegroup": 225
},
{
"id": "jvasp-76981",
"created_at": "2022-09-04T14:38:12.656861Z",
"updated_at": "2022-09-04T14:38:12.656878Z",
"structure_string": "Sc2 Ir1 Pt1\n1.0\n-8.852727 -0.000000 -5.111123\n-5.857137 0.263456 -0.077390\n-5.027482 2.610074 -1.514393\nSc Ir Pt\n2 1 1\ndirect\n0.753874 0.000001 -0.000000 Sc\n0.246125 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000001 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-Sc",
"density": 10.838784070833258,
"density_atomic": 0.054711592045867175,
"volume": 73.11064895802376,
"volume_molar": 11.00706547700416,
"formula_full": "Sc2 Ir1 Pt1",
"formula_reduced": "Sc2IrPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.09251325,
"spacegroup": 71
},
{
"id": "jvasp-110578",
"created_at": "2022-09-04T14:38:39.233370Z",
"updated_at": "2022-09-04T14:38:39.233392Z",
"structure_string": "Ir1 Pt1\n1.0\n2.667523 0.000663 3.974016\n1.210584 2.377008 3.974016\n0.001082 0.000663 4.786281\nIr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.500003 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt",
"density": 21.203956848698294,
"density_atomic": 0.06594003777731283,
"volume": 30.330586202486455,
"volume_molar": 9.132752972234366,
"formula_full": "Ir1 Pt1",
"formula_reduced": "IrPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.45380625,
"spacegroup": 166
},
{
"id": "jvasp-109969",
"created_at": "2022-09-04T14:38:27.317847Z",
"updated_at": "2022-09-04T14:38:27.317862Z",
"structure_string": "Ir1 Pt3\n1.0\n3.956816 0.000000 0.000000\n0.000000 3.956816 0.000000\n0.000000 0.000000 3.956816\nIr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt",
"density": 20.839851186531657,
"density_atomic": 0.06456875698252508,
"volume": 61.94946576225034,
"volume_molar": 9.326710070676807,
"formula_full": "Ir1 Pt3",
"formula_reduced": "IrPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.135146325,
"spacegroup": 221
},
{
"id": "jvasp-21840",
"created_at": "2022-09-04T14:37:33.174923Z",
"updated_at": "2022-09-04T14:37:33.174942Z",
"structure_string": "Sr4 P4 Ir4\n1.0\n6.375608 -0.000000 0.000000\n0.000000 6.375608 0.000000\n-0.000000 0.000000 6.375608\nSr P Ir\n4 4 4\ndirect\n0.619107 0.380893 0.880893 Sr\n0.380893 0.880893 0.619107 Sr\n0.119107 0.119107 0.119107 Sr\n0.880893 0.619107 0.380893 Sr\n0.162847 0.337153 0.662847 P\n0.662847 0.162847 0.337153 P\n0.337153 0.662847 0.162847 P\n0.837153 0.837153 0.837153 P\n0.590171 0.909830 0.090171 Ir\n0.090171 0.590171 0.909830 Ir\n0.409829 0.409829 0.409829 Ir\n0.909830 0.090171 0.590171 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sr",
"density": 7.966000258531744,
"density_atomic": 0.0463037777961364,
"volume": 259.1581199450487,
"volume_molar": 13.00572231171706,
"formula_full": "Sr4 P4 Ir4",
"formula_reduced": "SrPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.732197636666667,
"spacegroup": 198
},
{
"id": "jvasp-11370",
"created_at": "2022-09-04T14:36:43.670901Z",
"updated_at": "2022-09-04T14:36:43.670916Z",
"structure_string": "Sr3 P6 Ir6\n1.0\n3.392870 -5.876624 0.000000\n3.392870 5.876624 -0.000000\n0.000000 -0.000000 7.175632\nSr P Ir\n3 6 6\ndirect\n0.000000 0.398379 0.333333 Sr\n0.398379 0.000000 0.666667 Sr\n0.601621 0.601621 0.000000 Sr\n0.876279 0.660081 0.623532 P\n0.216198 0.339919 0.709801 P\n0.123721 0.783801 0.043134 P\n0.783801 0.123721 0.956866 P\n0.339919 0.216198 0.290199 P\n0.660081 0.876279 0.376468 P\n0.869835 0.000000 0.666667 Ir\n0.130164 0.130164 0.000000 Ir\n0.492035 0.000000 0.166667 Ir\n0.000000 0.492035 0.833333 Ir\n0.507965 0.507965 0.500000 Ir\n0.000000 0.869835 0.333333 Ir\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sr",
"density": 9.296673331892881,
"density_atomic": 0.05242108206393868,
"volume": 286.1444176544144,
"volume_molar": 11.48801307202075,
"formula_full": "Sr3 P6 Ir6",
"formula_reduced": "Sr(PIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.935767901999999,
"spacegroup": 154
},
{
"id": "jvasp-110511",
"created_at": "2022-09-04T14:38:39.240733Z",
"updated_at": "2022-09-04T14:38:39.240743Z",
"structure_string": "Si2 P4 Ir1\n1.0\n4.691424 0.003907 1.596340\n-1.146115 4.549275 1.596340\n0.007531 0.009671 5.611640\nSi P Ir\n2 4 1\ndirect\n0.587538 0.587539 0.137725 Si\n0.412460 0.412460 0.862276 Si\n0.711744 0.160580 0.343314 P\n0.839419 0.288255 0.656687 P\n0.160579 0.711744 0.343314 P\n0.288254 0.839419 0.656687 P\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.166777061096308,
"density_atomic": 0.05850532609733455,
"volume": 119.64722644830988,
"volume_molar": 10.293320560218815,
"formula_full": "Si2 P4 Ir1",
"formula_reduced": "Si2P4Ir",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.679350042857143,
"spacegroup": 12
},
{
"id": "jvasp-101122",
"created_at": "2022-09-04T14:36:42.006244Z",
"updated_at": "2022-09-04T14:36:42.006257Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.700803 0.003103 -1.528420\n-0.996696 4.591905 -1.597064\n-0.004395 -0.002425 5.539664\nSi P Ir\n3 3 1\ndirect\n0.412953 0.401714 0.637594 Si\n0.594365 0.590725 0.366178 Si\n0.288854 0.841193 0.841352 Si\n0.160116 0.707786 0.154890 P\n0.845652 0.293634 0.850351 P\n0.705474 0.161029 0.148884 P\n0.998382 0.998117 0.500752 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.131221606343938,
"density_atomic": 0.05855701806355394,
"volume": 119.54160630930113,
"volume_molar": 10.284233998158792,
"formula_full": "Si3 P3 Ir1",
"formula_reduced": "Si3P3Ir",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.689113342857143,
"spacegroup": 1
},
{
"id": "jvasp-90058",
"created_at": "2022-09-04T14:35:56.795827Z",
"updated_at": "2022-09-04T14:35:56.795846Z",
"structure_string": "Sc3 P3 Ir3\n1.0\n0.000000 0.000000 -3.927561\n-3.192660 -5.529849 0.000000\n-3.192641 5.529838 0.000000\nSc P Ir\n3 3 3\ndirect\n0.500000 0.581753 -0.000000 Sc\n0.500000 0.418271 0.418260 Sc\n0.500000 0.000010 0.581740 Sc\n0.000000 0.666677 0.333332 P\n0.000000 0.333344 0.666668 P\n0.500000 0.000010 -0.000000 P\n0.000000 0.250462 -0.000000 Ir\n0.000000 0.749560 0.749548 Ir\n0.000000 0.000012 0.250452 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"P",
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],
"chemical_system": "Ir-P-Sc",
"density": 9.632202687524224,
"density_atomic": 0.06489710974356554,
"volume": 138.68106045958908,
"volume_molar": 9.27952074259684,
"formula_full": "Sc3 P3 Ir3",
"formula_reduced": "ScPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.620880616666666,
"spacegroup": 189
},
{
"id": "jvasp-42860",
"created_at": "2022-09-04T14:37:08.251048Z",
"updated_at": "2022-09-04T14:37:08.251074Z",
"structure_string": "Pr2 Zn1 Ir1\n1.0\n0.000000 3.625590 3.625590\n3.625590 -0.000000 3.625590\n3.625590 3.625590 0.000000\nPr Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Pr-Zn",
"density": 9.397822197222105,
"density_atomic": 0.04196564714543142,
"volume": 95.31605663408575,
"volume_molar": 14.350167743464906,
"formula_full": "Pr2 Zn1 Ir1",
"formula_reduced": "Pr2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4738503,
"spacegroup": 225
}
]
}