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=formula_full&page=263",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=261",
"results": [
{
"id": "jvasp-65419",
"created_at": "2022-09-04T14:36:05.773689Z",
"updated_at": "2022-09-04T14:36:05.773722Z",
"structure_string": "Ba1 Sc2 Ni1\n1.0\n3.313549 0.000000 -0.000000\n-0.000000 3.313549 -0.000000\n0.000000 0.000000 9.136663\nBa Sc Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.657320 Sc\n0.000000 0.000000 0.342679 Sc\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ni"
],
"chemical_system": "Ba-Ni-Sc",
"density": 4.7330141051886185,
"density_atomic": 0.03987361308442282,
"volume": 100.31696880668824,
"volume_molar": 15.103072669260145,
"formula_full": "Ba1 Sc2 Ni1",
"formula_reduced": "BaSc2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4797297175000002,
"spacegroup": 123
},
{
"id": "jvasp-65516",
"created_at": "2022-09-04T14:36:10.194833Z",
"updated_at": "2022-09-04T14:36:10.194857Z",
"structure_string": "Ba1 Sc2 Re1\n1.0\n3.342034 0.000000 -0.000000\n0.000000 3.342034 0.000000\n-0.000000 0.000000 9.485042\nBa Sc Re\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.658042 Sc\n0.000000 0.000000 0.341958 Sc\n0.499999 0.499999 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Re"
],
"chemical_system": "Ba-Re-Sc",
"density": 6.480473233431757,
"density_atomic": 0.03775713261684805,
"volume": 105.94024818015745,
"volume_molar": 15.949677167256052,
"formula_full": "Ba1 Sc2 Re1",
"formula_reduced": "BaSc2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9920286174999995,
"spacegroup": 123
},
{
"id": "jvasp-65361",
"created_at": "2022-09-04T14:35:57.255309Z",
"updated_at": "2022-09-04T14:35:57.255326Z",
"structure_string": "Ba1 Sc2 Si1\n1.0\n4.745903 -0.000000 0.000000\n0.000000 4.745903 0.000000\n0.000000 -0.000000 4.417503\nBa Sc Si\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Si"
],
"chemical_system": "Ba-Sc-Si",
"density": 4.261148994837071,
"density_atomic": 0.040201793002862245,
"volume": 99.49804974408012,
"volume_molar": 14.979781522608311,
"formula_full": "Ba1 Sc2 Si1",
"formula_reduced": "BaSc2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0439387675,
"spacegroup": 123
},
{
"id": "jvasp-65373",
"created_at": "2022-09-04T14:35:50.633323Z",
"updated_at": "2022-09-04T14:35:50.633347Z",
"structure_string": "Ba1 Sc2 Ta1\n1.0\n3.333196 0.000000 0.000000\n0.000000 4.237271 0.000000\n0.000000 0.000000 8.045713\nBa Sc Ta\n1 2 1\ndirect\n0.500001 0.500000 0.722397 Ba\n0.000000 0.000000 0.074272 Sc\n0.500001 0.500000 0.277767 Sc\n0.000000 0.000000 0.425564 Ta\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ta"
],
"chemical_system": "Ba-Sc-Ta",
"density": 5.96480598661424,
"density_atomic": 0.03520046186501472,
"volume": 113.63487261442862,
"volume_molar": 17.10812995321896,
"formula_full": "Ba1 Sc2 Ta1",
"formula_reduced": "BaSc2Ta",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0323714175,
"spacegroup": 25
},
{
"id": "jvasp-69084",
"created_at": "2022-09-04T14:35:49.606307Z",
"updated_at": "2022-09-04T14:35:49.606334Z",
"structure_string": "Ba1 Sc4 Co1\n1.0\n0.000000 4.232843 4.232843\n4.232843 -0.000000 4.232843\n4.232843 4.232843 0.000000\nBa Sc Co\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117110 0.627630 0.627630 Sc\n0.627630 0.627630 0.627630 Sc\n0.627630 0.117110 0.627630 Sc\n0.627630 0.627630 0.117110 Sc\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Co"
],
"chemical_system": "Ba-Co-Sc",
"density": 4.117250553856091,
"density_atomic": 0.03955712990532994,
"volume": 151.67935627178954,
"volume_molar": 15.22390723091509,
"formula_full": "Ba1 Sc4 Co1",
"formula_reduced": "BaSc4Co",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6087546449999994,
"spacegroup": 216
},
{
"id": "jvasp-69244",
"created_at": "2022-09-04T14:35:46.205196Z",
"updated_at": "2022-09-04T14:35:46.205233Z",
"structure_string": "Ba1 Sc4 Fe1\n1.0\n0.000000 4.302200 4.302200\n4.302200 -0.000000 4.302200\n4.302200 4.302200 -0.000000\nBa Sc Fe\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.116742 0.627753 0.627753 Sc\n0.627753 0.627753 0.627753 Sc\n0.627753 0.116742 0.627753 Sc\n0.627753 0.627753 0.116742 Sc\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Fe"
],
"chemical_system": "Ba-Fe-Sc",
"density": 3.8891176266879186,
"density_atomic": 0.03767467086619549,
"volume": 159.25819289329598,
"volume_molar": 15.984587579777669,
"formula_full": "Ba1 Sc4 Fe1",
"formula_reduced": "BaSc4Fe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.631357078333333,
"spacegroup": 216
},
{
"id": "jvasp-69206",
"created_at": "2022-09-04T14:35:46.244847Z",
"updated_at": "2022-09-04T14:35:46.244878Z",
"structure_string": "Ba1 Sc4 Mn1\n1.0\n0.000000 4.253090 4.253090\n4.253090 0.000000 4.253090\n4.253090 4.253090 0.000000\nBa Sc Mn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.114206 0.628598 0.628598 Sc\n0.628598 0.628598 0.628598 Sc\n0.628598 0.114206 0.628598 Sc\n0.628598 0.628598 0.114206 Sc\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Mn"
],
"chemical_system": "Ba-Mn-Sc",
"density": 4.015613039995162,
"density_atomic": 0.03899487529909869,
"volume": 153.86637228555728,
"volume_molar": 15.443415868903148,
"formula_full": "Ba1 Sc4 Mn1",
"formula_reduced": "BaSc4Mn",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.808264035229884,
"spacegroup": 216
},
{
"id": "jvasp-69116",
"created_at": "2022-09-04T14:36:18.399013Z",
"updated_at": "2022-09-04T14:36:18.399041Z",
"structure_string": "Ba1 Sc4 Mo1\n1.0\n-0.000000 4.213256 4.213256\n4.213256 0.000000 4.213256\n4.213256 4.213256 0.000000\nBa Sc Mo\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.112943 0.629020 0.629020 Sc\n0.629020 0.629020 0.629020 Sc\n0.629020 0.112943 0.629020 Sc\n0.629020 0.629020 0.112943 Sc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Mo"
],
"chemical_system": "Ba-Mo-Sc",
"density": 4.585755768878999,
"density_atomic": 0.04011138989626541,
"volume": 149.5834478814366,
"volume_molar": 15.013542975135582,
"formula_full": "Ba1 Sc4 Mo1",
"formula_reduced": "BaSc4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.1115688116666664,
"spacegroup": 216
},
{
"id": "jvasp-69044",
"created_at": "2022-09-04T14:35:47.341499Z",
"updated_at": "2022-09-04T14:35:47.341528Z",
"structure_string": "Ba1 Sc4 Pt1\n1.0\n0.000000 4.200121 4.200121\n4.200121 0.000000 4.200121\n4.200121 4.200121 0.000000\nBa Sc Pt\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.118896 0.627034 0.627034 Sc\n0.627034 0.627034 0.627034 Sc\n0.627034 0.118896 0.627034 Sc\n0.627034 0.627034 0.118896 Sc\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pt"
],
"chemical_system": "Ba-Pt-Sc",
"density": 5.739877804797286,
"density_atomic": 0.04048888793360318,
"volume": 148.18880700895676,
"volume_molar": 14.873564247740202,
"formula_full": "Ba1 Sc4 Pt1",
"formula_reduced": "BaSc4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4155580616666663,
"spacegroup": 216
},
{
"id": "jvasp-69056",
"created_at": "2022-09-04T14:36:09.539156Z",
"updated_at": "2022-09-04T14:36:09.539187Z",
"structure_string": "Ba1 Sc4 Rh1\n1.0\n-0.000000 4.206529 4.206529\n4.206529 -0.000000 4.206529\n4.206529 4.206529 0.000000\nBa Sc Rh\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117975 0.627342 0.627342 Sc\n0.627342 0.627342 0.627342 Sc\n0.627342 0.117975 0.627342 Sc\n0.627342 0.627342 0.117975 Sc\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Rh"
],
"chemical_system": "Ba-Rh-Sc",
"density": 4.68548751901783,
"density_atomic": 0.04030413388235844,
"volume": 148.8681041382275,
"volume_molar": 14.941744629912408,
"formula_full": "Ba1 Sc4 Rh1",
"formula_reduced": "BaSc4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.492613328333333,
"spacegroup": 216
},
{
"id": "jvasp-65690",
"created_at": "2022-09-04T14:36:14.854256Z",
"updated_at": "2022-09-04T14:36:14.854285Z",
"structure_string": "Ba1 Sc4 Ru1\n1.0\n0.000000 4.174753 4.174753\n4.174753 0.000000 4.174753\n4.174753 4.174753 -0.000000\nBa Sc Ru\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.115984 0.628004 0.628004 Sc\n0.628004 0.628004 0.628004 Sc\n0.628004 0.115984 0.628004 Sc\n0.628004 0.628004 0.115984 Sc\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Ru"
],
"chemical_system": "Ba-Ru-Sc",
"density": 4.772349220222965,
"density_atomic": 0.04123147755725937,
"volume": 145.5198880919953,
"volume_molar": 14.605687491157394,
"formula_full": "Ba1 Sc4 Ru1",
"formula_reduced": "BaSc4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.815714578333333,
"spacegroup": 216
},
{
"id": "jvasp-1294",
"created_at": "2022-09-04T14:36:17.571797Z",
"updated_at": "2022-09-04T14:36:17.571823Z",
"structure_string": "Ba1 Se1\n1.0\n4.065586 0.000000 2.347268\n1.355195 3.833071 2.347268\n-0.000000 -0.000000 4.694534\nBa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.909271033851517,
"density_atomic": 0.027338047321439903,
"volume": 73.15811464089087,
"volume_molar": 22.028423205183085,
"formula_full": "Ba1 Se1",
"formula_reduced": "BaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0129599999999998,
"spacegroup": 225
}
]
}