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=structure_string&page=362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=360",
"results": [
{
"id": "jvasp-65732",
"created_at": "2022-09-04T14:35:41.324527Z",
"updated_at": "2022-09-04T14:35:41.324548Z",
"structure_string": "Ba2 Sc1 Sb1\n1.0\n0.000000 4.212615 4.212615\n4.212615 0.000000 4.212615\n4.212615 4.212615 -0.000000\nBa Sc Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Sb"
],
"chemical_system": "Ba-Sb-Sc",
"density": 4.901923355104511,
"density_atomic": 0.026753135315098084,
"volume": 149.51518589832747,
"volume_molar": 22.510037380932378,
"formula_full": "Ba2 Sc1 Sb1",
"formula_reduced": "Ba2ScSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8855683225,
"spacegroup": 225
},
{
"id": "jvasp-59679",
"created_at": "2022-09-04T14:38:35.601968Z",
"updated_at": "2022-09-04T14:38:35.601990Z",
"structure_string": "Ba2 Sc1 Sb1 O6\n1.0\n5.731781 0.000000 3.309245\n1.910594 5.403974 3.309245\n0.000000 0.000000 6.618490\nBa Sc Sb O\n2 1 1 6\ndirect\n0.750000 0.749999 0.750002 Ba\n0.250000 0.250000 0.250001 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500001 Sb\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000001 O\n-0.000000 0.500000 0.500001 O\n0.500000 0.500000 0.000001 O\n0.500000 -0.000000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Sc",
"density": 4.3526904014329455,
"density_atomic": 0.048779601001836884,
"volume": 205.00372685753277,
"volume_molar": 12.34561299460655,
"formula_full": "Ba2 Sc1 Sb1 O6",
"formula_reduced": "Ba2ScSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.124798429,
"spacegroup": 225
},
{
"id": "jvasp-65568",
"created_at": "2022-09-04T14:35:55.757151Z",
"updated_at": "2022-09-04T14:35:55.757178Z",
"structure_string": "Ba2 Sc1 Sn1\n1.0\n0.000000 4.206477 4.206477\n4.206477 0.000000 4.206477\n4.206477 4.206477 0.000000\nBa Sc Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Sn"
],
"chemical_system": "Ba-Sc-Sn",
"density": 4.8893907448810126,
"density_atomic": 0.026870419070982227,
"volume": 148.86258340197085,
"volume_molar": 22.411785778597704,
"formula_full": "Ba2 Sc1 Sn1",
"formula_reduced": "Ba2ScSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6110997224999999,
"spacegroup": 225
},
{
"id": "jvasp-108014",
"created_at": "2022-09-04T14:35:56.128576Z",
"updated_at": "2022-09-04T14:35:56.128596Z",
"structure_string": "Ba2 Sc1 Ta1 O6\n1.0\n5.073546 -0.000000 2.929213\n1.691182 4.783385 2.929213\n-0.000000 -0.000000 5.858427\nBa Sc Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.749999 Ba\n0.500000 0.500000 0.499999 Sc\n0.000000 0.000000 0.000000 Ta\n0.756897 0.243103 0.243102 O\n0.243103 0.756898 0.756897 O\n0.243103 0.756898 0.243102 O\n0.756897 0.243103 0.756897 O\n0.243103 0.243103 0.756897 O\n0.756897 0.756898 0.243102 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sc-Ta",
"density": 6.967404697474804,
"density_atomic": 0.07033508840816009,
"volume": 142.17654696002097,
"volume_molar": 8.562071785639963,
"formula_full": "Ba2 Sc1 Ta1 O6",
"formula_reduced": "Ba2ScTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.443013739,
"spacegroup": 225
},
{
"id": "jvasp-69138",
"created_at": "2022-09-04T14:36:17.278735Z",
"updated_at": "2022-09-04T14:36:17.278762Z",
"structure_string": "Ba2 Sc1 Tl1\n1.0\n0.000000 4.227989 4.227989\n4.227989 0.000000 4.227989\n4.227989 4.227989 0.000000\nBa Sc Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Tl"
],
"chemical_system": "Ba-Sc-Tl",
"density": 5.75629730574798,
"density_atomic": 0.026462352450170794,
"volume": 151.15814089212552,
"volume_molar": 22.757390036807294,
"formula_full": "Ba2 Sc1 Tl1",
"formula_reduced": "Ba2ScTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3785574475,
"spacegroup": 225
},
{
"id": "jvasp-106665",
"created_at": "2022-09-04T14:36:47.701087Z",
"updated_at": "2022-09-04T14:36:47.701104Z",
"structure_string": "Ba2 Sc1 U1 O6\n1.0\n5.233554 -0.000000 3.021594\n1.744518 4.934242 3.021594\n-0.000000 -0.000000 6.043188\nBa Sc U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.747873 0.252126 0.252126 O\n0.252127 0.747873 0.747873 O\n0.252127 0.747873 0.252126 O\n0.747873 0.252126 0.747873 O\n0.252126 0.252126 0.747874 O\n0.747873 0.747873 0.252126 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"U",
"O"
],
"chemical_system": "Ba-O-Sc-U",
"density": 6.955066451943509,
"density_atomic": 0.06407914961356218,
"volume": 156.05700232144665,
"volume_molar": 9.397972345633985,
"formula_full": "Ba2 Sc1 U1 O6",
"formula_reduced": "Ba2ScUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.345377419,
"spacegroup": 225
},
{
"id": "jvasp-108194",
"created_at": "2022-09-04T14:36:07.949898Z",
"updated_at": "2022-09-04T14:36:07.949922Z",
"structure_string": "Ba2 Sc2 O5\n1.0\n4.166246 -0.000000 0.000000\n0.000000 4.166246 0.000000\n-0.000000 -0.000000 8.264804\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.261114 Sc\n0.500000 0.500000 0.738886 Sc\n0.500000 0.000000 0.221457 O\n0.500000 0.000000 0.778543 O\n-0.000000 0.500000 0.221457 O\n-0.000000 0.500000 0.778543 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"O"
],
"chemical_system": "Ba-O-Sc",
"density": 5.1458824584083755,
"density_atomic": 0.06273647762029999,
"volume": 143.45720928852117,
"volume_molar": 9.599105637469489,
"formula_full": "Ba2 Sc2 O5",
"formula_reduced": "Ba2Sc2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.8291155488888888,
"spacegroup": 123
},
{
"id": "jvasp-40246",
"created_at": "2022-09-04T14:37:54.182351Z",
"updated_at": "2022-09-04T14:37:54.182366Z",
"structure_string": "Ba2 Sc2 O5\n1.0\n4.168528 0.000000 -0.000000\n0.000000 4.168528 0.000000\n0.000000 -0.000000 8.269364\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.261133 Sc\n0.500000 0.500000 0.738867 Sc\n0.500000 0.000000 0.221460 O\n0.500000 0.000000 0.778540 O\n0.000000 0.500000 0.221460 O\n0.000000 0.500000 0.778540 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"O"
],
"chemical_system": "Ba-O-Sc",
"density": 5.137415420287652,
"density_atomic": 0.0626332509819412,
"volume": 143.6936428957669,
"volume_molar": 9.61492604261647,
"formula_full": "Ba2 Sc2 O5",
"formula_reduced": "Ba2Sc2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.8307888822222225,
"spacegroup": 123
},
{
"id": "jvasp-90535",
"created_at": "2022-09-04T14:35:54.747030Z",
"updated_at": "2022-09-04T14:35:54.747040Z",
"structure_string": "Ba2 Sc2 O5\n1.0\n8.268614 0.000000 0.000000\n-0.000000 4.168812 0.000000\n0.000000 0.000000 4.168812\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.261116 0.500000 0.500000 Sc\n0.738883 0.500000 0.500000 Sc\n0.221459 0.500000 0.000000 O\n0.778541 0.500000 0.000000 O\n0.221459 0.000000 0.500000 O\n0.778541 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"O"
],
"chemical_system": "Ba-O-Sc",
"density": 5.137181394960763,
"density_atomic": 0.06263039784162919,
"volume": 143.70018888843586,
"volume_molar": 9.615364052497208,
"formula_full": "Ba2 Sc2 O5",
"formula_reduced": "Ba2Sc2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.83079666,
"spacegroup": 123
},
{
"id": "jvasp-119965",
"created_at": "2022-09-04T14:38:53.693055Z",
"updated_at": "2022-09-04T14:38:53.693091Z",
"structure_string": "Ba2 Se1\n1.0\n4.375748 0.000000 0.000000\n0.000000 4.350010 0.000000\n0.000000 0.000000 8.590403\nBa Se\n2 1\ndirect\n-0.033328 0.000000 0.740880 Ba\n-0.033328 0.000000 0.259120 Ba\n0.466657 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 3.591058266523012,
"density_atomic": 0.01834700410546806,
"volume": 163.51443444141887,
"volume_molar": 32.823564683267215,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4236019899999999,
"spacegroup": 47
},
{
"id": "jvasp-119962",
"created_at": "2022-09-04T14:38:54.044445Z",
"updated_at": "2022-09-04T14:38:54.044468Z",
"structure_string": "Ba2 Se1\n1.0\n4.383440 0.000000 -0.552875\n0.000000 4.330845 0.000000\n-1.132864 0.000000 8.549292\nBa Se\n2 1\ndirect\n-0.165553 0.000000 -0.132436 Ba\n0.098886 0.000000 0.399102 Ba\n0.466667 0.000000 0.133334 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 3.679429448746125,
"density_atomic": 0.018798499548515372,
"volume": 159.5872049392861,
"volume_molar": 32.03522038797827,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4139686566666666,
"spacegroup": 65
},
{
"id": "jvasp-119967",
"created_at": "2022-09-04T14:38:54.053044Z",
"updated_at": "2022-09-04T14:38:54.053066Z",
"structure_string": "Ba2 Se1\n1.0\n4.604289 0.576321 0.454824\n-3.715804 -8.460516 0.544500\n0.120741 2.255434 -4.080668\nBa Se\n2 1\ndirect\n0.522301 0.603729 0.521611 Ba\n0.522388 0.103692 0.521861 Ba\n0.022455 0.103730 0.021891 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 4.156843546540877,
"density_atomic": 0.021237646385508784,
"volume": 141.25859078466476,
"volume_molar": 28.355970575483003,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2863919899999999,
"spacegroup": 123
}
]
}