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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4510",
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"results": [
{
"id": "jvasp-16455",
"created_at": "2022-09-04T14:37:59.079917Z",
"updated_at": "2022-09-04T14:37:59.079932Z",
"structure_string": "Ba2 Cd4\n1.0\n4.833396 -0.000000 2.073511\n2.316898 6.040284 1.269390\n0.033339 0.058106 6.592414\nBa Cd\n2 4\ndirect\n0.544104 0.705897 0.205896 Ba\n0.455897 0.294103 0.794102 Ba\n0.835234 0.722399 0.607135 Cd\n0.164767 0.277601 0.392864 Cd\n0.835234 0.107136 0.222398 Cd\n0.164768 0.892864 0.777601 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.265134206175055,
"density_atomic": 0.031254693578816085,
"volume": 191.97116698231528,
"volume_molar": 19.267956490482785,
"formula_full": "Ba2 Cd4",
"formula_reduced": "BaCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0779453333333333,
"spacegroup": 74
},
{
"id": "jvasp-99418",
"created_at": "2022-09-04T14:36:39.171499Z",
"updated_at": "2022-09-04T14:36:39.171517Z",
"structure_string": "Ba2 Cd6\n1.0\n7.459906 -0.085995 0.000000\n-3.647627 6.507873 0.000000\n-0.000000 -0.000000 5.143227\nBa Cd\n2 6\ndirect\n0.333479 0.666521 0.250000 Ba\n0.666521 0.333480 0.750000 Ba\n0.142023 0.284322 0.750000 Cd\n0.715679 0.857978 0.750000 Cd\n0.142177 0.857822 0.750000 Cd\n0.857978 0.715679 0.250000 Cd\n0.284322 0.142023 0.250000 Cd\n0.857823 0.142178 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.35297667278744,
"density_atomic": 0.03224757230423445,
"volume": 248.08069037027988,
"volume_molar": 18.674710465597528,
"formula_full": "Ba2 Cd6",
"formula_reduced": "BaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16010",
"created_at": "2022-09-04T14:36:55.626234Z",
"updated_at": "2022-09-04T14:36:55.626244Z",
"structure_string": "Ba2 Cd1\n1.0\n4.111760 -0.000000 -1.112516\n-0.301013 4.100727 -1.112516\n-0.022473 -0.024183 8.071545\nBa Cd\n2 1\ndirect\n0.632597 0.632597 0.265193 Ba\n0.367405 0.367404 0.734806 Ba\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 4.730361180984553,
"density_atomic": 0.022079160518806876,
"volume": 135.87473117216666,
"volume_molar": 27.27522522819825,
"formula_full": "Ba2 Cd1",
"formula_reduced": "Ba2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-110285",
"created_at": "2022-09-04T14:37:54.908080Z",
"updated_at": "2022-09-04T14:37:54.908100Z",
"structure_string": "Ba1 Ca1\n1.0\n4.639116 0.115442 0.000000\n-0.116901 4.639079 0.000000\n0.000000 0.000000 4.656281\nBa Ca\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.500000 Ca\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.9378967200929837,
"density_atomic": 0.019945804901616522,
"volume": 100.27171176420705,
"volume_molar": 30.192518124510144,
"formula_full": "Ba1 Ca1",
"formula_reduced": "BaCa",
"formula_anonymous": "AB",
"energy_above_hull": 0.1137374999999999,
"spacegroup": 221
},
{
"id": "jvasp-106493",
"created_at": "2022-09-04T14:36:57.354278Z",
"updated_at": "2022-09-04T14:36:57.354295Z",
"structure_string": "Ba3 Ca1\n1.0\n5.441503 -0.137501 -4.953261\n-1.154223 5.319458 -4.953261\n0.113761 0.137501 7.357432\nBa Ca\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 3.4219510397799975,
"density_atomic": 0.018234319717121004,
"volume": 219.3665605327861,
"volume_molar": 33.02640763913747,
"formula_full": "Ba3 Ca1",
"formula_reduced": "Ba3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0018824999999999,
"spacegroup": 139
},
{
"id": "jvasp-109926",
"created_at": "2022-09-04T14:38:11.881911Z",
"updated_at": "2022-09-04T14:38:11.881921Z",
"structure_string": "Ba6 Ca2\n1.0\n8.512294 0.000000 0.000000\n-4.256147 7.371863 0.000000\n-0.000000 -0.000000 6.976221\nBa Ca\n6 2\ndirect\n0.168360 0.336719 0.250000 Ba\n0.663280 0.831640 0.250000 Ba\n0.168360 0.831640 0.250000 Ba\n0.831639 0.663281 0.750000 Ba\n0.336719 0.168360 0.750000 Ba\n0.831639 0.168360 0.750000 Ba\n0.333333 0.666666 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 3.429494512894846,
"density_atomic": 0.01827451611354943,
"volume": 437.7680891954503,
"volume_molar": 32.95376316714046,
"formula_full": "Ba6 Ca2",
"formula_reduced": "Ba3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-100035",
"created_at": "2022-09-04T14:36:36.605510Z",
"updated_at": "2022-09-04T14:36:36.605523Z",
"structure_string": "Ba1 Ca3\n1.0\n3.937736 0.005579 12.638858\n1.927924 3.433498 12.638858\n0.009516 0.005579 13.238067\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.245902 0.245903 0.245902 Ca\n0.500000 0.500001 0.500000 Ca\n0.754098 0.754099 0.754097 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.398911831838631,
"density_atomic": 0.02243598173194562,
"volume": 178.28504443398498,
"volume_molar": 26.841440824607805,
"formula_full": "Ba1 Ca3",
"formula_reduced": "BaCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0091799999999999,
"spacegroup": 166
},
{
"id": "jvasp-106491",
"created_at": "2022-09-04T14:37:01.189401Z",
"updated_at": "2022-09-04T14:37:01.189424Z",
"structure_string": "Ba1 Ca3\n1.0\n5.167814 -0.667914 -3.559923\n-1.804357 4.888425 -3.559923\n0.532282 0.667914 6.252681\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.500000 0.500001 0.000001 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.4091251023962124,
"density_atomic": 0.02253150202102506,
"volume": 177.52922092221982,
"volume_molar": 26.72764893516862,
"formula_full": "Ba1 Ca3",
"formula_reduced": "BaCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-7845",
"created_at": "2022-09-04T14:37:00.831122Z",
"updated_at": "2022-09-04T14:37:00.831150Z",
"structure_string": "Ba1 C2\n1.0\n3.861481 -0.000000 -2.042165\n-1.080009 3.707374 -2.042165\n0.047130 0.062818 4.760991\nBa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.586839 0.586839 0.173680 C\n0.413160 0.413161 0.826322 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 3.8746159624543797,
"density_atomic": 0.04338465592142228,
"volume": 69.14887156034061,
"volume_molar": 13.880807931051066,
"formula_full": "Ba1 C2",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.470565323333333,
"spacegroup": 139
},
{
"id": "jvasp-7649",
"created_at": "2022-09-04T14:36:38.604876Z",
"updated_at": "2022-09-04T14:36:38.604891Z",
"structure_string": "Ba2 C4\n1.0\n4.308109 -0.010503 1.163579\n1.671789 3.970520 1.163579\n0.012748 0.008441 8.164594\nBa C\n2 4\ndirect\n0.816069 0.183931 0.250000 Ba\n0.183932 0.816069 0.750000 Ba\n0.121936 0.422388 0.447222 C\n0.577612 0.878065 0.052778 C\n0.422389 0.121936 0.947221 C\n0.878065 0.577612 0.552778 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 3.8352482165111286,
"density_atomic": 0.04294384936699204,
"volume": 139.71733061758977,
"volume_molar": 14.023290526509724,
"formula_full": "Ba2 C4",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4684486566666664,
"spacegroup": 15
},
{
"id": "jvasp-36871",
"created_at": "2022-09-04T14:38:03.301263Z",
"updated_at": "2022-09-04T14:38:03.301289Z",
"structure_string": "Ba1 C1\n1.0\n-2.996266 -2.996266 0.000000\n-2.996266 0.000000 -2.996266\n-0.000000 -2.996266 -2.996266\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 4.609432521380627,
"density_atomic": 0.03717567831440907,
"volume": 53.798614865483486,
"volume_molar": 16.1991415706485,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 2.5252629850000003,
"spacegroup": 225
},
{
"id": "jvasp-117552",
"created_at": "2022-09-04T14:38:46.032385Z",
"updated_at": "2022-09-04T14:38:46.032407Z",
"structure_string": "Ba1 C3\n1.0\n4.186457 -0.105652 0.373247\n-0.119437 -2.783974 0.546230\n-0.616807 0.477687 -5.047158\nBa C\n1 3\ndirect\n0.709483 -0.009459 0.018256 Ba\n0.332557 0.656889 0.350454 C\n0.149688 0.755316 0.547410 C\n0.075745 0.314870 0.667403 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 5.035390382674473,
"density_atomic": 0.06996766752133625,
"volume": 57.16926319975183,
"volume_molar": 8.607033753359838,
"formula_full": "Ba1 C3",
"formula_reduced": "BaC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.698548992499999,
"spacegroup": 8
}
]
}