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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3563",
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"results": [
{
"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": [
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"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",
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"spacegroup": 154
},
{
"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-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-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-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-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-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",
"energy_above_hull": 3.835228783333333,
"spacegroup": 216
},
{
"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",
"energy_above_hull": 5.030140733333333,
"spacegroup": 227
},
{
"id": "jvasp-38233",
"created_at": "2022-09-04T14:37:51.386461Z",
"updated_at": "2022-09-04T14:37:51.386481Z",
"structure_string": "Rb3 Ir1\n1.0\n-2.859389 2.859389 4.046069\n2.859389 -2.859389 4.046069\n2.859389 2.859389 -4.046069\nRb Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.499999 0.499999 0.000000 Rb\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ir"
],
"chemical_system": "Ir-Rb",
"density": 5.629740223095035,
"density_atomic": 0.03022875293003018,
"volume": 132.3243472616522,
"volume_molar": 19.921896129619753,
"formula_full": "Rb3 Ir1",
"formula_reduced": "Rb3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5993977749999999,
"spacegroup": 225
},
{
"id": "jvasp-39474",
"created_at": "2022-09-04T14:38:00.401696Z",
"updated_at": "2022-09-04T14:38:00.401708Z",
"structure_string": "Re3 Ir1\n1.0\n-1.955687 1.955687 3.906919\n1.955687 -1.955687 3.906919\n1.955687 1.955687 -3.906919\nRe Ir\n3 1\ndirect\n0.749999 0.250000 0.499999 Re\n0.250000 0.749999 0.499999 Re\n0.500001 0.500001 0.000000 Re\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Ir"
],
"chemical_system": "Ir-Re",
"density": 20.85942079743201,
"density_atomic": 0.06692168923662256,
"volume": 59.77135433411953,
"volume_molar": 8.998787730397597,
"formula_full": "Re3 Ir1",
"formula_reduced": "Re3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 6.331316275000001,
"spacegroup": 139
},
{
"id": "jvasp-39689",
"created_at": "2022-09-04T14:37:41.007307Z",
"updated_at": "2022-09-04T14:37:41.007338Z",
"structure_string": "Ti2 Re1 Ir1\n1.0\n-0.000000 3.107209 3.107209\n3.107209 0.000000 3.107209\n3.107209 3.107209 -0.000000\nTi Re Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.749999 0.749999 0.749999 Re\n0.249999 0.249999 0.249999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Ir"
],
"chemical_system": "Ir-Re-Ti",
"density": 13.122929198345716,
"density_atomic": 0.06666817967281985,
"volume": 59.99863832536546,
"volume_molar": 9.033006135092037,
"formula_full": "Ti2 Re1 Ir1",
"formula_reduced": "Ti2ReIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.599588941666667,
"spacegroup": 225
},
{
"id": "jvasp-109046",
"created_at": "2022-09-04T14:37:48.347476Z",
"updated_at": "2022-09-04T14:37:48.347486Z",
"structure_string": "Ir1 Rh3\n1.0\n3.505139 -0.004821 -3.143224\n-0.701764 3.434174 -3.143224\n0.003941 0.004821 4.708061\nIr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500001 Rh\n0.250001 0.749999 0.500000 Rh\n0.500001 0.500000 0.000001 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh",
"density": 14.654370934654382,
"density_atomic": 0.07046898204910551,
"volume": 56.762562530173135,
"volume_molar": 8.54580353637511,
"formula_full": "Ir1 Rh3",
"formula_reduced": "IrRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.313982525,
"spacegroup": 139
}
]
}