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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3566",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3564",
"results": [
{
"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-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-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-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-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-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-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-22453",
"created_at": "2022-09-04T14:38:31.153167Z",
"updated_at": "2022-09-04T14:38:31.153194Z",
"structure_string": "Ir3 Se8\n1.0\n6.056862 -0.006231 -0.039707\n-0.039927 6.056734 -0.039707\n-0.006196 -0.006231 6.056989\nIr Se\n3 8\ndirect\n0.499999 0.000000 0.500000 Ir\n-0.000001 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.379560 0.115765 0.879052 Se\n0.115764 0.879051 0.379560 Se\n0.879051 0.379561 0.115764 Se\n0.373438 0.373439 0.373439 Se\n0.626560 0.626561 0.626561 Se\n0.120947 0.620439 0.884235 Se\n0.884234 0.120948 0.620439 Se\n0.620439 0.884234 0.120947 Se\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Ir",
"Se"
],
"chemical_system": "Ir-Se",
"density": 9.030272577595428,
"density_atomic": 0.04950607891419228,
"volume": 222.19493527382852,
"volume_molar": 12.164447057982587,
"formula_full": "Ir3 Se8",
"formula_reduced": "Ir3Se8",
"formula_anonymous": "A3B8",
"energy_above_hull": 2.72385093030303,
"spacegroup": 148
},
{
"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-51113",
"created_at": "2022-09-04T14:36:44.006020Z",
"updated_at": "2022-09-04T14:36:44.006035Z",
"structure_string": "Sn1 Ir1 Se2\n1.0\n-0.000000 3.393268 3.393268\n3.393268 0.000000 3.393268\n3.393268 3.393268 0.000000\nSn Ir Se\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Se\n0.750000 0.750000 0.750000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"Ir",
"Se"
],
"chemical_system": "Ir-Se-Sn",
"density": 9.96312911795889,
"density_atomic": 0.051188866286133915,
"volume": 78.1419923942235,
"volume_molar": 11.764551936621583,
"formula_full": "Sn1 Ir1 Se2",
"formula_reduced": "SnIrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.083742383333333,
"spacegroup": 216
},
{
"id": "jvasp-5707",
"created_at": "2022-09-04T14:37:09.251646Z",
"updated_at": "2022-09-04T14:37:09.251656Z",
"structure_string": "Si6 Ir2\n1.0\n2.201448 -3.813019 0.000000\n2.201448 3.813019 0.000000\n0.000000 0.000000 7.493070\nSi Ir\n6 2\ndirect\n0.333333 0.666667 0.915966 Si\n0.666667 0.333333 0.415966 Si\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.333333 0.666667 0.584034 Si\n0.666667 0.333333 0.084034 Si\n0.666667 0.333333 0.750000 Ir\n0.333333 0.666667 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 7.299034514985062,
"density_atomic": 0.06359497496364544,
"volume": 125.79610267278606,
"volume_molar": 9.469522966936625,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.552869225,
"spacegroup": 194
},
{
"id": "jvasp-20471",
"created_at": "2022-09-04T14:37:44.076957Z",
"updated_at": "2022-09-04T14:37:44.076982Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433194 -2.551502\n-0.003387 -0.004622 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Ir-Si",
"density": 17.71789344926792,
"density_atomic": 0.07057596051109628,
"volume": 113.3530446070543,
"volume_molar": 8.532849877477998,
"formula_full": "Si2 Ir6",
"formula_reduced": "SiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165770475,
"spacegroup": 140
}
]
}