HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1081",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1079",
"results": [
{
"id": "jvasp-78359",
"created_at": "2022-09-04T14:38:01.135002Z",
"updated_at": "2022-09-04T14:38:01.135021Z",
"structure_string": "Mo1 N1\n1.0\n-2.327141 -2.327141 0.000000\n-2.327141 -0.000000 -2.327141\n-0.000000 -2.327141 -2.327141\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.750000 0.750000 0.750000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 7.243245535591762,
"density_atomic": 0.07934725496927016,
"volume": 25.205660873518134,
"volume_molar": 7.5896018864575385,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.603479575,
"spacegroup": 216
},
{
"id": "jvasp-29437",
"created_at": "2022-09-04T14:37:54.026989Z",
"updated_at": "2022-09-04T14:37:54.027009Z",
"structure_string": "Sm2 Ti3 Bi2 O12\n1.0\n3.792748 0.000385 -0.437102\n-0.050718 3.792407 -0.437131\n-0.002176 -0.002328 16.648242\nSm Ti Bi O\n2 3 2 12\ndirect\n0.065415 0.065411 0.130923 Sm\n0.934584 0.934591 0.869077 Sm\n0.373267 0.373267 0.746432 Ti\n0.500000 0.500001 0.000000 Ti\n0.626731 0.626734 0.253568 Ti\n0.210595 0.210590 0.421103 Bi\n0.789404 0.789412 0.578897 Bi\n0.558715 0.558719 0.117463 O\n0.318633 0.318630 0.637102 O\n0.386745 0.886740 0.773391 O\n0.886741 0.386744 0.773391 O\n0.613255 0.113261 0.226609 O\n0.249997 0.750003 0.500000 O\n0.750001 0.249998 0.500000 O\n0.441284 0.441283 0.882537 O\n0.113257 0.613258 0.226609 O\n0.681365 0.681371 0.362898 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000001 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sm-Ti",
"density": 7.311030212499835,
"density_atomic": 0.07934678574771087,
"volume": 239.45519432144286,
"volume_molar": 7.589646767983588,
"formula_full": "Sm2 Ti3 Bi2 O12",
"formula_reduced": "Sm2Ti3(BiO6)2",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 2.8506385973684205,
"spacegroup": 139
},
{
"id": "jvasp-15941",
"created_at": "2022-09-04T14:37:52.459658Z",
"updated_at": "2022-09-04T14:37:52.459684Z",
"structure_string": "U2 Cr1 N3\n1.0\n3.191768 -0.000000 -0.819290\n-0.268460 3.561053 -1.045858\n0.005657 0.008936 6.648890\nU Cr N\n2 1 3\ndirect\n0.645170 0.645169 0.290338 U\n0.354831 0.354831 0.709662 U\n0.000000 0.000000 0.000000 Cr\n0.830973 0.830972 0.661944 N\n0.169028 0.169028 0.338056 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cr",
"N"
],
"chemical_system": "Cr-N-U",
"density": 12.518259972516146,
"density_atomic": 0.07934414234574452,
"volume": 75.6199490298202,
"volume_molar": 7.589899622026711,
"formula_full": "U2 Cr1 N3",
"formula_reduced": "U2CrN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.726703191666667,
"spacegroup": 71
},
{
"id": "jvasp-15650",
"created_at": "2022-09-04T14:35:46.549321Z",
"updated_at": "2022-09-04T14:35:46.549343Z",
"structure_string": "Ca2 Cu1 O3\n1.0\n3.154500 0.000000 -0.802188\n-0.277163 3.643595 -1.089907\n-0.003865 -0.024912 6.588228\nCa Cu O\n2 1 3\ndirect\n0.350662 0.850662 0.701325 Ca\n0.649337 0.149337 0.298674 Ca\n0.000000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.000000 O\n0.839069 0.339070 0.678139 O\n0.160930 0.660929 0.321860 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.209500814103924,
"density_atomic": 0.07934328636265037,
"volume": 75.62076484425036,
"volume_molar": 7.589981504515586,
"formula_full": "Ca2 Cu1 O3",
"formula_reduced": "Ca2CuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6913902983333332,
"spacegroup": 71
},
{
"id": "jvasp-20862",
"created_at": "2022-09-04T14:38:34.119604Z",
"updated_at": "2022-09-04T14:38:34.119620Z",
"structure_string": "Na8 Be4 F16\n1.0\n4.931988 0.000000 0.000000\n-0.000000 6.565522 0.000000\n0.000000 0.000000 10.898307\nNa Be F\n8 4 16\ndirect\n0.514374 0.250000 0.778891 Na\n0.014374 0.750000 0.721110 Na\n0.485626 0.750000 0.221110 Na\n0.985627 0.250000 0.278890 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.925841 0.750000 0.403817 Be\n0.074160 0.250000 0.596183 Be\n0.574160 0.750000 0.903817 Be\n0.425841 0.250000 0.096183 Be\n0.197593 0.250000 0.461426 F\n0.697593 0.750000 0.038574 F\n0.757992 0.250000 0.593158 F\n0.257992 0.750000 0.906843 F\n0.242009 0.750000 0.406843 F\n0.742009 0.250000 0.093158 F\n0.801924 0.943056 0.338234 F\n0.198077 0.056944 0.661766 F\n0.301923 0.056944 0.161766 F\n0.198077 0.443056 0.661766 F\n0.801924 0.556944 0.338234 F\n0.301923 0.443056 0.161766 F\n0.302407 0.250000 0.961426 F\n0.698077 0.943056 0.838235 F\n0.698077 0.556944 0.838235 F\n0.802407 0.750000 0.538574 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Be",
"F"
],
"chemical_system": "Be-F-Na",
"density": 2.4653662636025113,
"density_atomic": 0.0793428363470802,
"volume": 352.8989041621323,
"volume_molar": 7.590024553264681,
"formula_full": "Na8 Be4 F16",
"formula_reduced": "Na2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-16895",
"created_at": "2022-09-04T14:37:38.208595Z",
"updated_at": "2022-09-04T14:37:38.208617Z",
"structure_string": "Mo1 N1\n1.0\n2.850221 -0.000000 1.645576\n0.950074 2.687214 1.645576\n0.000000 0.000000 3.291152\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 7.242734523407452,
"density_atomic": 0.07934165700715749,
"volume": 25.207439262575242,
"volume_molar": 7.590137371918936,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.603389575000001,
"spacegroup": 216
},
{
"id": "jvasp-78425",
"created_at": "2022-09-04T14:36:32.430271Z",
"updated_at": "2022-09-04T14:36:32.430297Z",
"structure_string": "Cu2\n1.0\n0.000000 2.480727 0.000000\n0.044162 0.000000 2.522791\n4.027005 -1.240363 -0.070389\nCu\n2\ndirect\n0.866127 0.750005 0.732249 Cu\n0.133875 0.249994 0.267749 Cu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.37128315569304,
"density_atomic": 0.0793331531848144,
"volume": 25.21014128028925,
"volume_molar": 7.590950968469424,
"formula_full": "Cu2",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy_above_hull": 0.12513045,
"spacegroup": 63
},
{
"id": "jvasp-13976",
"created_at": "2022-09-04T14:35:44.895237Z",
"updated_at": "2022-09-04T14:35:44.895265Z",
"structure_string": "Li2 Sm2 Al2 F12\n1.0\n2.427577 -4.204686 -0.000000\n2.427577 4.204686 0.000000\n0.000000 0.000000 11.114521\nLi Sm Al F\n2 2 2 12\ndirect\n0.666668 0.333334 0.750000 Li\n0.333334 0.666668 0.250000 Li\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.250000 Al\n0.643009 0.976232 0.656165 F\n0.643009 0.666778 0.843835 F\n0.333224 0.976232 0.843835 F\n0.666778 0.643009 0.156165 F\n0.976232 0.333224 0.156165 F\n0.356993 0.023769 0.156165 F\n0.333224 0.356993 0.656165 F\n0.023769 0.356993 0.843835 F\n0.666778 0.023769 0.343835 F\n0.356993 0.333224 0.343835 F\n0.023769 0.666778 0.656165 F\n0.976232 0.643009 0.343835 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Sm",
"Al",
"F"
],
"chemical_system": "Al-F-Li-Sm",
"density": 4.365818176131037,
"density_atomic": 0.07933141044032671,
"volume": 226.8962558473563,
"volume_molar": 7.591117725720848,
"formula_full": "Li2 Sm2 Al2 F12",
"formula_reduced": "LiSmAlF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0082481522222221,
"spacegroup": 182
},
{
"id": "jvasp-101116",
"created_at": "2022-09-04T14:36:59.891655Z",
"updated_at": "2022-09-04T14:36:59.891680Z",
"structure_string": "Sr2 Ta1 Mn1 O6\n1.0\n4.874027 -0.000000 2.814021\n1.624676 4.595277 2.814021\n-0.000000 -0.000000 5.628041\nSr Ta Mn O\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.499999 Mn\n0.750218 0.750218 0.249782 O\n0.249783 0.750218 0.249782 O\n0.750218 0.249783 0.249782 O\n0.249783 0.249783 0.750217 O\n0.750218 0.249783 0.750216 O\n0.249783 0.750218 0.750216 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr-Ta",
"density": 6.68043816743862,
"density_atomic": 0.07933103516334966,
"volume": 126.0540717691268,
"volume_molar": 7.591153635648237,
"formula_full": "Sr2 Ta1 Mn1 O6",
"formula_reduced": "Sr2TaMnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.613772006137931,
"spacegroup": 225
},
{
"id": "jvasp-15676",
"created_at": "2022-09-04T14:35:41.532693Z",
"updated_at": "2022-09-04T14:35:41.532724Z",
"structure_string": "Ce1 B2 Rh2 C1\n1.0\n3.629200 -0.000000 -1.286203\n-0.455835 3.600459 -1.286203\n0.006868 0.007792 5.782624\nCe B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.353432 0.353432 0.706865 B\n0.646567 0.646568 0.293135 B\n0.750000 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n0.499999 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ce-Rh",
"density": 8.333310221556127,
"density_atomic": 0.07933039335045386,
"volume": 75.63305495655497,
"volume_molar": 7.591215050953163,
"formula_full": "Ce1 B2 Rh2 C1",
"formula_reduced": "CeB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.136002777777779,
"spacegroup": 139
},
{
"id": "jvasp-10720",
"created_at": "2022-09-04T14:37:58.176977Z",
"updated_at": "2022-09-04T14:37:58.177006Z",
"structure_string": "Li4 Er4 O8\n1.0\n0.000000 6.099003 -0.004658\n6.105373 0.000000 0.000000\n0.000000 -2.993663 -5.414380\nLi Er O\n4 4 8\ndirect\n0.708559 0.344384 0.935876 Li\n0.291441 0.844384 0.564124 Li\n0.291441 0.655615 0.064124 Li\n0.708559 0.155615 0.435876 Li\n0.766349 0.869217 0.021549 Er\n0.766349 0.630782 0.521549 Er\n0.233651 0.130782 0.978451 Er\n0.233651 0.369218 0.478451 Er\n0.012612 0.672037 0.343951 O\n0.545912 0.607739 0.738162 O\n0.987388 0.172037 0.156049 O\n0.987388 0.327963 0.656049 O\n0.454088 0.392260 0.261838 O\n0.454088 0.107740 0.761838 O\n0.545912 0.892260 0.238162 O\n0.012612 0.827963 0.843951 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Er",
"O"
],
"chemical_system": "Er-Li-O",
"density": 6.790348874268571,
"density_atomic": 0.07932623612646521,
"volume": 201.6987163552312,
"volume_molar": 7.5916128812657275,
"formula_full": "Li4 Er4 O8",
"formula_reduced": "LiErO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9160792499999996,
"spacegroup": 14
},
{
"id": "jvasp-104767",
"created_at": "2022-09-04T14:37:01.198348Z",
"updated_at": "2022-09-04T14:37:01.198359Z",
"structure_string": "Al2 Co1 Ru1\n1.0\n2.939410 -0.000000 0.000000\n0.000000 2.939410 0.000000\n0.000000 -0.000000 5.836107\nAl Co Ru\n2 1 1\ndirect\n0.000000 0.000000 0.757994 Al\n0.000000 0.000000 0.242007 Al\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Ru"
],
"chemical_system": "Al-Co-Ru",
"density": 7.046133014658783,
"density_atomic": 0.0793261562326218,
"volume": 50.42472987434445,
"volume_molar": 7.5916205272069845,
"formula_full": "Al2 Co1 Ru1",
"formula_reduced": "Al2CoRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.62768425,
"spacegroup": 123
}
]
}