HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=52",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume_molar&page=50",
"results": [
{
"id": "oqmd-1237440",
"created_at": "2022-09-04T15:40:42.844157Z",
"updated_at": "2022-09-04T15:40:42.844173Z",
"structure_string": "Ca4 Sn2\n1.0\n4.851621 2.801085 7.922664\n-4.851621 2.801085 7.922664\n0.000000 -5.602170 7.922664\nCa Sn\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.874998 0.375000 0.375000 Ca\n0.375000 0.874998 0.375000 Ca\n0.375000 0.375000 0.874998 Ca\n0.250000 0.250000 0.250000 Sn\n0.500001 0.500001 0.500001 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 1.0223603269425399,
"density_atomic": 0.00928785885734402,
"volume": 646.0046488815589,
"volume_molar": 64.83884878631874,
"formula_full": "Ca4 Sn2",
"formula_reduced": "Ca2Sn",
"formula_anonymous": "AB2",
"formation_energy": 0.256280149382933,
"spacegroup": 227
},
{
"id": "oqmd-954210",
"created_at": "2022-09-04T15:34:28.170695Z",
"updated_at": "2022-09-04T15:34:28.170721Z",
"structure_string": "Cs1 Rb1 Ba1\n1.0\n0.000000 5.445501 5.445501\n5.445501 0.000000 5.445501\n5.445501 5.445501 0.000000\nBa Cs Rb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cs\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cs",
"Rb"
],
"chemical_system": "Ba-Cs-Rb",
"density": 1.8288991082292303,
"density_atomic": 0.009289187576255183,
"volume": 322.9561224136042,
"volume_molar": 64.82957428261719,
"formula_full": "Cs1 Rb1 Ba1",
"formula_reduced": "CsRbBa",
"formula_anonymous": "ABC",
"formation_energy": 0.409296863333333,
"spacegroup": 216
},
{
"id": "oqmd-1237861",
"created_at": "2022-09-04T15:40:44.290726Z",
"updated_at": "2022-09-04T15:40:44.290751Z",
"structure_string": "Tb2 Bi4\n1.0\n4.850989 2.800720 7.921632\n-4.850989 2.800720 7.921632\n0.000000 -5.601440 7.921632\nBi Tb\n4 2\ndirect\n0.624999 0.624999 0.124999 Bi\n0.624999 0.124999 0.624999 Bi\n0.124999 0.624999 0.624999 Bi\n0.624999 0.624999 0.624999 Bi\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Tb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Tb"
],
"chemical_system": "Bi-Tb",
"density": 2.9669027375911745,
"density_atomic": 0.009291489792142463,
"volume": 645.7522027386848,
"volume_molar": 64.81351101620696,
"formula_full": "Tb2 Bi4",
"formula_reduced": "TbBi2",
"formula_anonymous": "AB2",
"formation_energy": 0.902071383444444,
"spacegroup": 227
},
{
"id": "oqmd-1241223",
"created_at": "2022-09-04T15:41:00.241955Z",
"updated_at": "2022-09-04T15:41:00.241995Z",
"structure_string": "Tl2 I4\n1.0\n4.850783 2.800601 7.921296\n-4.850783 2.800601 7.921296\n0.000000 -5.601202 7.921296\nI Tl\n4 2\ndirect\n0.875000 0.875000 0.374999 I\n0.875000 0.374999 0.875000 I\n0.374999 0.875000 0.875000 I\n0.875000 0.875000 0.875000 I\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"I",
"Tl"
],
"chemical_system": "I-Tl",
"density": 2.356764804252314,
"density_atomic": 0.00929267335103231,
"volume": 645.6699566797394,
"volume_molar": 64.80525606047487,
"formula_full": "Tl2 I4",
"formula_reduced": "TlI2",
"formula_anonymous": "AB2",
"formation_energy": -0.441990048285545,
"spacegroup": 227
},
{
"id": "oqmd-1239322",
"created_at": "2022-09-04T15:40:48.936137Z",
"updated_at": "2022-09-04T15:40:48.936157Z",
"structure_string": "Sr4 Mn2\n1.0\n4.850269 2.800304 7.920456\n-4.850269 2.800304 7.920456\n0.000000 -5.600608 7.920456\nMn Sr\n2 4\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500001 0.500001 0.500001 Mn\n0.875000 0.375000 0.375000 Sr\n0.375000 0.875000 0.375000 Sr\n0.375000 0.375000 0.375000 Sr\n0.375000 0.375000 0.875000 Sr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sr"
],
"chemical_system": "Mn-Sr",
"density": 1.184324047851266,
"density_atomic": 0.009295629551564778,
"volume": 645.4646204129328,
"volume_molar": 64.78464666211084,
"formula_full": "Sr4 Mn2",
"formula_reduced": "Sr2Mn",
"formula_anonymous": "AB2",
"formation_energy": 1.45391760706897,
"spacegroup": 227
},
{
"id": "oqmd-1240659",
"created_at": "2022-09-04T15:40:54.120001Z",
"updated_at": "2022-09-04T15:40:54.120030Z",
"structure_string": "Pm4 Sb2\n1.0\n0.000000 6.858043 6.858043\n6.858043 0.000000 6.858043\n6.858043 6.858043 0.000000\nPm Sb\n4 2\ndirect\n0.625000 0.625000 0.125000 Pm\n0.625000 0.125000 0.625000 Pm\n0.125000 0.625000 0.625000 Pm\n0.625000 0.625000 0.625000 Pm\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Sb"
],
"chemical_system": "Pm-Sb",
"density": 2.119789034492428,
"density_atomic": 0.009300807231126949,
"volume": 645.1052957983949,
"volume_molar": 64.74858160532284,
"formula_full": "Pm4 Sb2",
"formula_reduced": "Pm2Sb",
"formula_anonymous": "AB2",
"formation_energy": 0.957434076666666,
"spacegroup": 227
},
{
"id": "oqmd-900686",
"created_at": "2022-09-04T15:33:12.623424Z",
"updated_at": "2022-09-04T15:33:12.623445Z",
"structure_string": "Cs1 K1 Rb1\n1.0\n0.000000 5.443134 5.443134\n5.443134 0.000000 5.443134\n5.443134 5.443134 0.000000\nCs K Rb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cs",
"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.325565750973261,
"density_atomic": 0.009301311328781505,
"volume": 322.53516670460783,
"volume_molar": 64.74507246484046,
"formula_full": "Cs1 K1 Rb1",
"formula_reduced": "CsKRb",
"formula_anonymous": "ABC",
"formation_energy": 0.0943199916666666,
"spacegroup": 216
},
{
"id": "oqmd-1241523",
"created_at": "2022-09-04T15:41:08.661899Z",
"updated_at": "2022-09-04T15:41:08.661919Z",
"structure_string": "U2 Bi4\n1.0\n4.847174 2.798517 7.915402\n-4.847174 2.798517 7.915402\n0.000000 -5.597034 7.915402\nBi U\n4 2\ndirect\n0.875000 0.375000 0.375000 Bi\n0.375000 0.875000 0.375000 Bi\n0.375000 0.375000 0.375000 Bi\n0.375000 0.375000 0.875000 Bi\n0.250000 0.250000 0.250000 U\n0.500000 0.500000 0.500000 U\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"U"
],
"chemical_system": "Bi-U",
"density": 3.3817019975775175,
"density_atomic": 0.009313447361006347,
"volume": 644.2297644930998,
"volume_molar": 64.66070539265162,
"formula_full": "U2 Bi4",
"formula_reduced": "UBi2",
"formula_anonymous": "AB2",
"formation_energy": 1.29577728166667,
"spacegroup": 227
},
{
"id": "oqmd-309605",
"created_at": "2022-09-04T14:50:06.777897Z",
"updated_at": "2022-09-04T14:50:06.777906Z",
"structure_string": "Cs3 Rb1\n1.0\n0.000000 5.987879 5.987879\n5.987879 0.000000 5.987879\n5.987879 5.987879 0.000000\nCs Rb\n3 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Rb"
],
"chemical_system": "Cs-Rb",
"density": 1.8724517184249057,
"density_atomic": 0.009315602491992465,
"volume": 429.38714950947434,
"volume_molar": 64.64574637203049,
"formula_full": "Cs3 Rb1",
"formula_reduced": "Cs3Rb",
"formula_anonymous": "AB3",
"formation_energy": 0.0007364749999999,
"spacegroup": 225
},
{
"id": "oqmd-1239917",
"created_at": "2022-09-04T15:40:50.408127Z",
"updated_at": "2022-09-04T15:40:50.408146Z",
"structure_string": "Pm2 Te4\n1.0\n0.000000 6.853933 6.853933\n6.853933 0.000000 6.853933\n6.853933 6.853933 0.000000\nPm Te\n2 4\ndirect\n0.250000 0.250000 0.250000 Pm\n0.500000 0.500000 0.500000 Pm\n0.375000 0.375000 0.375000 Te\n0.875001 0.375000 0.375000 Te\n0.375000 0.875001 0.375000 Te\n0.375000 0.375000 0.875001 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Te"
],
"chemical_system": "Pm-Te",
"density": 2.0639853845071734,
"density_atomic": 0.009317549112728883,
"volume": 643.9461630315728,
"volume_molar": 64.63224059396732,
"formula_full": "Pm2 Te4",
"formula_reduced": "PmTe2",
"formula_anonymous": "AB2",
"formation_energy": -0.494039068055554,
"spacegroup": 227
},
{
"id": "oqmd-1237860",
"created_at": "2022-09-04T15:40:44.545289Z",
"updated_at": "2022-09-04T15:40:44.545315Z",
"structure_string": "Tb4 Bi2\n1.0\n4.845873 2.797766 7.913278\n-4.845873 2.797766 7.913278\n0.000000 -5.595532 7.913278\nBi Tb\n2 4\ndirect\n0.500001 0.500001 0.500001 Bi\n0.749999 0.749999 0.749999 Bi\n0.625000 0.625000 0.125000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.625000 0.625000 0.625000 Tb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"Tb"
],
"chemical_system": "Bi-Tb",
"density": 2.7180623066860417,
"density_atomic": 0.00932094962368599,
"volume": 643.7112356827959,
"volume_molar": 64.6086611679222,
"formula_full": "Tb4 Bi2",
"formula_reduced": "Tb2Bi",
"formula_anonymous": "AB2",
"formation_energy": 1.64230031355555,
"spacegroup": 227
},
{
"id": "oqmd-1240535",
"created_at": "2022-09-04T15:40:52.785341Z",
"updated_at": "2022-09-04T15:40:52.785353Z",
"structure_string": "Eu4 Hg2\n1.0\n4.845422 2.797506 7.912541\n-4.845422 2.797506 7.912541\n0.000000 -5.595012 7.912541\nEu Hg\n4 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.500000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.125000 0.125000 0.125000 Hg\n0.875000 0.875000 0.875000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Hg"
],
"chemical_system": "Eu-Hg",
"density": 2.6036697734383925,
"density_atomic": 0.00932355190912229,
"volume": 643.5315702087225,
"volume_molar": 64.59062832167916,
"formula_full": "Eu4 Hg2",
"formula_reduced": "Eu2Hg",
"formula_anonymous": "AB2",
"formation_energy": 0.403965858344577,
"spacegroup": 227
}
]
}