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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3863",
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"results": [
{
"id": "jvasp-106555",
"created_at": "2022-09-04T14:36:43.605931Z",
"updated_at": "2022-09-04T14:36:43.605956Z",
"structure_string": "Mg4 Sb2\n1.0\n5.401980 -0.006715 -4.726067\n-0.480924 3.857717 -6.033562\n-0.042232 0.006715 7.177417\nMg Sb\n4 2\ndirect\n0.248648 -0.000000 0.248648 Mg\n0.181051 0.681051 0.500002 Mg\n0.818950 0.318950 0.500000 Mg\n0.751352 -0.000000 0.751352 Mg\n0.648228 0.648228 0.000000 Sb\n0.351773 0.351772 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.797098675122338,
"density_atomic": 0.04026529795579936,
"volume": 149.01168759725587,
"volume_molar": 14.95615595993035,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3757681190476192,
"spacegroup": 71
},
{
"id": "jvasp-78545",
"created_at": "2022-09-04T14:37:17.400240Z",
"updated_at": "2022-09-04T14:37:17.400271Z",
"structure_string": "Mg1 Sb1\n1.0\n3.452328 0.000000 0.000000\n0.000000 3.452328 0.000000\n0.000000 -0.000000 4.098194\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.965679050620337,
"density_atomic": 0.04094617906021705,
"volume": 48.844606405367436,
"volume_molar": 14.707454756996016,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5515776142857145,
"spacegroup": 123
},
{
"id": "jvasp-78581",
"created_at": "2022-09-04T14:37:08.801349Z",
"updated_at": "2022-09-04T14:37:08.801368Z",
"structure_string": "Mg1 Sb1\n1.0\n3.772516 -0.000000 0.000000\n-1.886259 3.267096 -0.000000\n0.000000 0.000000 4.196146\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.689771506126617,
"density_atomic": 0.03867109047600956,
"volume": 51.71822090821935,
"volume_molar": 15.5727203083036,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5659826142857145,
"spacegroup": 187
},
{
"id": "jvasp-79177",
"created_at": "2022-09-04T14:37:56.722010Z",
"updated_at": "2022-09-04T14:37:56.722038Z",
"structure_string": "Mg3 Sb1\n1.0\n6.154254 -1.617132 -0.000000\n-2.238802 3.877719 0.000000\n0.000000 0.000000 4.517934\nMg Sb\n3 1\ndirect\n0.749950 0.749950 0.250000 Mg\n0.249899 0.249899 0.749999 Mg\n0.750021 0.250022 0.749999 Mg\n0.250130 0.750130 0.250000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.5344548734597416,
"density_atomic": 0.04373439787378593,
"volume": 91.46118832008821,
"volume_molar": 13.769803753510978,
"formula_full": "Mg3 Sb1",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2720708714285715,
"spacegroup": 221
},
{
"id": "jvasp-100738",
"created_at": "2022-09-04T14:36:35.149285Z",
"updated_at": "2022-09-04T14:36:35.149304Z",
"structure_string": "Mg2 Sb4\n1.0\n6.472005 0.003872 1.226368\n5.650213 3.156256 1.226368\n0.074939 0.019536 8.116436\nMg Sb\n2 4\ndirect\n0.633321 0.633323 0.011390 Mg\n0.366676 0.366680 0.988611 Mg\n0.234738 0.234740 0.713457 Sb\n0.001810 0.001811 0.708098 Sb\n0.998187 0.998191 0.291903 Sb\n0.765259 0.765262 0.286545 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 5.380606562649732,
"density_atomic": 0.036295457973289445,
"volume": 165.30994055552407,
"volume_molar": 16.59199551754331,
"formula_full": "Mg2 Sb4",
"formula_reduced": "MgSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.922490442857143,
"spacegroup": 12
},
{
"id": "jvasp-78565",
"created_at": "2022-09-04T14:36:35.818141Z",
"updated_at": "2022-09-04T14:36:35.818167Z",
"structure_string": "Mg1 Sb1\n1.0\n3.660097 -0.000000 0.000000\n-0.000000 3.660097 0.000000\n-0.000000 -0.000000 3.660097\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.946721665135212,
"density_atomic": 0.04078985955332293,
"volume": 49.03179422291173,
"volume_molar": 14.763818326286462,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5672876142857144,
"spacegroup": 221
},
{
"id": "jvasp-86379",
"created_at": "2022-09-04T14:36:03.906458Z",
"updated_at": "2022-09-04T14:36:03.906480Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.967022808421784,
"density_atomic": 0.03774862097856173,
"volume": 132.4551697620851,
"volume_molar": 15.953273533939445,
"formula_full": "Mg3 Sb2",
"formula_reduced": "Mg3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4957019171428574,
"spacegroup": 164
},
{
"id": "jvasp-85880",
"created_at": "2022-09-04T14:36:07.354103Z",
"updated_at": "2022-09-04T14:36:07.354123Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.967022808421784,
"density_atomic": 0.03774862097856173,
"volume": 132.4551697620851,
"volume_molar": 15.953273533939445,
"formula_full": "Mg3 Sb2",
"formula_reduced": "Mg3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4957019171428574,
"spacegroup": 164
},
{
"id": "jvasp-94403",
"created_at": "2022-09-04T14:36:08.650359Z",
"updated_at": "2022-09-04T14:36:08.650376Z",
"structure_string": "Mg4 Sb2\n1.0\n3.571023 -0.000000 0.000000\n-1.785511 3.092597 -0.000000\n-0.000000 0.000000 13.771762\nMg Sb\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.326140 Mg\n0.666667 0.333333 0.000000 Mg\n0.666667 0.333333 0.673860 Mg\n0.000000 0.000000 0.159583 Sb\n0.000000 0.000000 0.840417 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.720203784012849,
"density_atomic": 0.039449887041648556,
"volume": 152.09169024148537,
"volume_molar": 15.265292784342389,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4572247857142859,
"spacegroup": 187
},
{
"id": "jvasp-90803",
"created_at": "2022-09-04T14:35:50.864705Z",
"updated_at": "2022-09-04T14:35:50.864714Z",
"structure_string": "Mg2 Si2 Sb4\n1.0\n-6.419866 0.000000 -0.000000\n-0.000000 6.419866 -0.000000\n3.209932 -3.209932 -5.989572\nMg Si Sb\n2 2 4\ndirect\n0.750001 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750001 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.875001 0.848335 0.250000 Sb\n0.375000 0.401666 0.250000 Sb\n0.598335 0.125000 0.750000 Sb\n0.151666 0.625001 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sb"
],
"chemical_system": "Mg-Sb-Si",
"density": 3.9809961036926156,
"density_atomic": 0.03240725680194982,
"volume": 246.8582900703484,
"volume_molar": 18.582692132206855,
"formula_full": "Mg2 Si2 Sb4",
"formula_reduced": "MgSiSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3573049625,
"spacegroup": 122
},
{
"id": "jvasp-92527",
"created_at": "2022-09-04T14:36:22.235717Z",
"updated_at": "2022-09-04T14:36:22.235748Z",
"structure_string": "Sm1 Mg2 Sb2\n1.0\n-2.335079 -4.044589 -0.000062\n-2.335177 4.044645 -0.000000\n-0.000086 -0.000050 -7.356414\nSm Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333338 0.666670 0.641332 Mg\n0.666663 0.333332 0.358667 Mg\n0.333327 0.666665 0.245216 Sb\n0.666674 0.333337 0.754783 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sm",
"density": 5.287718244627687,
"density_atomic": 0.03598203753686234,
"volume": 138.958223110008,
"volume_molar": 16.736519586559062,
"formula_full": "Sm1 Mg2 Sb2",
"formula_reduced": "Sm(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5151558349999998,
"spacegroup": 164
},
{
"id": "jvasp-110108",
"created_at": "2022-09-04T14:38:19.726815Z",
"updated_at": "2022-09-04T14:38:19.726827Z",
"structure_string": "Sm1 Mg5 Sb4\n1.0\n4.633276 -0.000000 0.000000\n-2.316638 4.012535 0.000000\n0.000000 -0.000000 14.658716\nSm Mg Sb\n1 5 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 0.325551 Mg\n0.666667 0.333334 0.674449 Mg\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666667 0.810633 Mg\n0.666667 0.333334 0.189367 Mg\n0.333334 0.666667 0.123592 Sb\n0.666667 0.333334 0.876408 Sb\n0.333334 0.666667 0.611878 Sb\n0.666667 0.333334 0.388122 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sm",
"density": 4.624289562439829,
"density_atomic": 0.03669416960784686,
"volume": 272.5228587230804,
"volume_molar": 16.41171015547984,
"formula_full": "Sm1 Mg5 Sb4",
"formula_reduced": "SmMg5Sb4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.3878098525000001,
"spacegroup": 164
}
]
}