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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1080",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1078",
"results": [
{
"id": "jvasp-123673",
"created_at": "2022-09-04T14:38:52.665037Z",
"updated_at": "2022-09-04T14:38:52.665074Z",
"structure_string": "Ir1 Se2\n1.0\n1.862071 -3.221516 -0.013289\n1.858880 3.219674 0.000000\n0.023154 -0.013368 5.162128\nIr Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Ir\n0.665505 0.666082 0.422060 Se\n0.334494 0.000576 0.911273 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ir",
"Se"
],
"chemical_system": "Ir-Se",
"density": 9.398512052587844,
"density_atomic": 0.04849458572056079,
"volume": 61.86257610873984,
"volume_molar": 12.418171370101478,
"formula_full": "Ir1 Se2",
"formula_reduced": "IrSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-40334",
"created_at": "2022-09-04T14:37:44.141078Z",
"updated_at": "2022-09-04T14:37:44.141096Z",
"structure_string": "Sc2 Zn1 Ir1\n1.0\n-0.000000 3.268242 3.268242\n3.268242 -0.000000 3.268242\n3.268242 3.268242 0.000000\nSc Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Ir"
],
"chemical_system": "Ir-Sc-Zn",
"density": 8.265679451165683,
"density_atomic": 0.05729112828785069,
"volume": 69.81883791679925,
"volume_molar": 10.511471740864758,
"formula_full": "Sc2 Zn1 Ir1",
"formula_reduced": "Sc2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.860268,
"spacegroup": 225
},
{
"id": "jvasp-102154",
"created_at": "2022-09-04T14:36:41.645304Z",
"updated_at": "2022-09-04T14:36:41.645324Z",
"structure_string": "Sc6 Te2 Ir1\n1.0\n7.745004 -0.000000 0.000000\n-3.872501 6.707371 -0.000000\n0.000000 -0.000000 3.821978\nSc Te Ir\n6 2 1\ndirect\n0.241424 0.000000 0.500000 Sc\n0.000000 0.241424 0.500000 Sc\n0.758575 0.758575 0.500000 Sc\n0.612554 0.000000 0.000000 Sc\n0.000000 0.612555 0.000000 Sc\n0.387445 0.387445 0.000000 Sc\n0.333333 0.666667 0.500000 Te\n0.666667 0.333333 0.500000 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Te",
"Ir"
],
"chemical_system": "Ir-Sc-Te",
"density": 5.997889206202127,
"density_atomic": 0.04532943974514335,
"volume": 198.54646451844292,
"volume_molar": 13.28527507478232,
"formula_full": "Sc6 Te2 Ir1",
"formula_reduced": "Sc6Te2Ir",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.806023125925926,
"spacegroup": 189
},
{
"id": "jvasp-21926",
"created_at": "2022-09-04T14:38:14.580491Z",
"updated_at": "2022-09-04T14:38:14.580518Z",
"structure_string": "Sc2 Si14 Ir6\n1.0\n6.686069 -0.004440 4.418430\n2.373889 6.250455 4.418430\n-0.006439 -0.004440 8.014112\nSc Si Ir\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750001 0.750000 Si\n0.934145 0.149963 0.327216 Si\n0.149963 0.327217 0.934145 Si\n0.327216 0.934146 0.149962 Si\n0.350037 0.565855 0.172783 Si\n0.565855 0.172784 0.350037 Si\n0.172783 0.350038 0.565854 Si\n0.649963 0.434146 0.827216 Si\n0.827216 0.649963 0.434145 Si\n0.672784 0.065855 0.850037 Si\n0.850037 0.672784 0.065854 Si\n0.065854 0.850038 0.672783 Si\n0.250000 0.250000 0.250000 Si\n0.434145 0.827217 0.649962 Si\n0.750000 0.427162 0.072838 Ir\n0.427162 0.072838 0.750000 Ir\n0.927162 0.250000 0.572838 Ir\n0.250000 0.572839 0.927161 Ir\n0.572838 0.927162 0.250000 Ir\n0.072838 0.750001 0.427161 Ir\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ir"
],
"chemical_system": "Ir-Sc-Si",
"density": 8.105014450213286,
"density_atomic": 0.06561981979126111,
"volume": 335.2645598537569,
"volume_molar": 9.17731986944895,
"formula_full": "Sc2 Si14 Ir6",
"formula_reduced": "ScSi7Ir3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 4.171959886363636,
"spacegroup": 167
},
{
"id": "jvasp-20091",
"created_at": "2022-09-04T14:35:59.918166Z",
"updated_at": "2022-09-04T14:35:59.918192Z",
"structure_string": "Sc1 Ir1\n1.0\n3.223278 -0.000000 -0.000000\n-0.000000 3.223278 -0.000000\n0.000000 -0.000000 3.223278\nSc Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 11.760367449824441,
"density_atomic": 0.05972232461069567,
"volume": 33.488314680266484,
"volume_molar": 10.083567240986957,
"formula_full": "Sc1 Ir1",
"formula_reduced": "ScIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.837318175,
"spacegroup": 221
},
{
"id": "jvasp-20641",
"created_at": "2022-09-04T14:38:08.993689Z",
"updated_at": "2022-09-04T14:38:08.993712Z",
"structure_string": "Sc2 Ir4\n1.0\n4.534842 -0.000000 2.618192\n1.511614 4.275489 2.618192\n-0.000000 0.000000 5.236384\nSc Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874999 0.875000 0.874999 Sc\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 14.045962004056033,
"density_atomic": 0.0590978674370453,
"volume": 101.52650611955788,
"volume_molar": 10.190115178716315,
"formula_full": "Sc2 Ir4",
"formula_reduced": "ScIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2451424833333324,
"spacegroup": 227
},
{
"id": "jvasp-16783",
"created_at": "2022-09-04T14:38:30.793707Z",
"updated_at": "2022-09-04T14:38:30.793742Z",
"structure_string": "Sc1 Ir3\n1.0\n3.947296 0.000000 0.000000\n0.000000 3.947296 0.000000\n-0.000000 0.000000 3.947296\nSc Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500001 0.500001 Ir\n0.500001 0.500001 0.000000 Ir\n0.500001 0.000000 0.500001 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 16.782855252616965,
"density_atomic": 0.06503706105564792,
"volume": 61.503394142878996,
"volume_molar": 9.259552418654422,
"formula_full": "Sc1 Ir3",
"formula_reduced": "ScIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9433546375,
"spacegroup": 221
},
{
"id": "jvasp-21663",
"created_at": "2022-09-04T14:38:34.039446Z",
"updated_at": "2022-09-04T14:38:34.039474Z",
"structure_string": "Sm4 Sb4 Ir4\n1.0\n4.569605 -0.000000 0.000000\n-0.000000 7.296096 0.000000\n0.000000 0.000000 7.998580\nSm Sb Ir\n4 4 4\ndirect\n0.749999 0.487608 0.808401 Sm\n0.250000 0.012392 0.308401 Sm\n0.749999 0.987609 0.691599 Sm\n0.250000 0.512392 0.191599 Sm\n0.250000 0.677117 0.587665 Sb\n0.250000 0.177116 0.912335 Sb\n0.749999 0.322884 0.412335 Sb\n0.749999 0.822884 0.087665 Sb\n0.250000 0.791404 0.910931 Ir\n0.250000 0.291403 0.589069 Ir\n0.749999 0.708597 0.410931 Ir\n0.749999 0.208597 0.089069 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb-Sm",
"density": 11.565390109013467,
"density_atomic": 0.0449986155776041,
"volume": 266.67487090363784,
"volume_molar": 13.382946747804464,
"formula_full": "Sm4 Sb4 Ir4",
"formula_reduced": "SmSbIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.001228691666666,
"spacegroup": 62
},
{
"id": "jvasp-9081",
"created_at": "2022-09-04T14:38:11.313919Z",
"updated_at": "2022-09-04T14:38:11.313956Z",
"structure_string": "Sb12 Ir4\n1.0\n7.683611 0.000000 -2.716567\n-3.841805 6.654203 -2.716567\n-0.000000 -0.000000 8.149700\nSb Ir\n12 4\ndirect\n0.507013 0.846400 0.660613 Sb\n0.185787 0.846400 0.339386 Sb\n0.814212 0.153599 0.660613 Sb\n0.153599 0.339386 0.492986 Sb\n0.492986 0.153599 0.339386 Sb\n0.153599 0.660613 0.814211 Sb\n0.339386 0.185788 0.846400 Sb\n0.846400 0.660613 0.507013 Sb\n0.660613 0.814212 0.153599 Sb\n0.846400 0.339386 0.185787 Sb\n0.660613 0.507014 0.846400 Sb\n0.339386 0.492986 0.153599 Sb\n0.500000 -0.000000 -0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n-0.000000 0.500000 -0.000000 Ir\n0.499999 0.500000 0.499999 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 8.886865063302132,
"density_atomic": 0.03839873746034608,
"volume": 416.6803665491088,
"volume_molar": 15.683173870544556,
"formula_full": "Sb12 Ir4",
"formula_reduced": "Sb3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.28567985,
"spacegroup": 204
},
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2067677666666663,
"spacegroup": 14
},
{
"id": "jvasp-15889",
"created_at": "2022-09-04T14:37:55.516674Z",
"updated_at": "2022-09-04T14:37:55.516702Z",
"structure_string": "Sb2 Ir2\n1.0\n2.035282 -3.525212 0.000000\n2.035282 3.525212 0.000000\n0.000000 -0.000000 5.621321\nSb Ir\n2 2\ndirect\n0.666666 0.333333 0.250000 Sb\n0.333333 0.666666 0.750000 Sb\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 12.927028774059252,
"density_atomic": 0.04958859210251565,
"volume": 80.66371377777185,
"volume_molar": 12.144205964852334,
"formula_full": "Sb2 Ir2",
"formula_reduced": "SbIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.9975136,
"spacegroup": 194
},
{
"id": "jvasp-41817",
"created_at": "2022-09-04T14:37:37.414535Z",
"updated_at": "2022-09-04T14:37:37.414553Z",
"structure_string": "Ir4 S6\n1.0\n-6.051712 -0.000001 -0.000001\n3.025856 -5.240937 0.000000\n-3.025857 1.746979 5.285744\nIr S\n4 6\ndirect\n0.647964 0.352036 0.056107 Ir\n0.852035 0.147964 0.443894 Ir\n0.147964 0.852035 0.556107 Ir\n0.352035 0.647964 0.943893 Ir\n0.546898 0.750000 0.250000 S\n0.250000 0.046899 0.250000 S\n0.953100 0.453101 0.250000 S\n0.046899 0.546899 0.750000 S\n0.749999 0.953101 0.750000 S\n0.453101 0.249999 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ir",
"S"
],
"chemical_system": "Ir-S",
"density": 9.521287505460661,
"density_atomic": 0.05964947349632288,
"volume": 167.64607319822287,
"volume_molar": 10.095882506609614,
"formula_full": "Ir4 S6",
"formula_reduced": "Ir2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.09751644,
"spacegroup": 167
}
]
}