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=-volume_molar&page=220",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=218",
"results": [
{
"id": "jvasp-69188",
"created_at": "2022-09-04T14:35:46.720552Z",
"updated_at": "2022-09-04T14:35:46.720572Z",
"structure_string": "Ba2 Ti1 Bi1\n1.0\n0.000000 4.234963 4.234963\n4.234963 0.000000 4.234963\n4.234963 4.234963 -0.000000\nBa Ti Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Bi"
],
"chemical_system": "Ba-Bi-Ti",
"density": 5.809980216595005,
"density_atomic": 0.02633183558067143,
"volume": 151.90737416483614,
"volume_molar": 22.870189742565763,
"formula_full": "Ba2 Ti1 Bi1",
"formula_reduced": "Ba2TiBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0593211433333334,
"spacegroup": 225
},
{
"id": "jvasp-66195",
"created_at": "2022-09-04T14:36:21.978680Z",
"updated_at": "2022-09-04T14:36:21.978706Z",
"structure_string": "Ba4 Zr1 Pt1\n1.0\n-0.000000 4.847654 4.847654\n4.847654 -0.000000 4.847654\n4.847654 4.847654 -0.000000\nBa Zr Pt\n4 1 1\ndirect\n0.127393 0.624201 0.624201 Ba\n0.624201 0.624201 0.624201 Ba\n0.624201 0.127393 0.624201 Ba\n0.624201 0.624201 0.127393 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pt"
],
"chemical_system": "Ba-Pt-Zr",
"density": 6.090192288412462,
"density_atomic": 0.026334580880902812,
"volume": 227.83730742231222,
"volume_molar": 22.867805594609283,
"formula_full": "Ba4 Zr1 Pt1",
"formula_reduced": "Ba4ZrPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2422899633333333,
"spacegroup": 216
},
{
"id": "jvasp-66065",
"created_at": "2022-09-04T14:35:59.470533Z",
"updated_at": "2022-09-04T14:35:59.470559Z",
"structure_string": "Ba4 Te1 Ru1\n1.0\n0.000000 4.847277 4.847277\n4.847277 0.000000 4.847277\n4.847277 4.847277 0.000000\nBa Te Ru\n4 1 1\ndirect\n0.125944 0.624686 0.624686 Ba\n0.624686 0.624686 0.624686 Ba\n0.624686 0.125944 0.624686 Ba\n0.624686 0.624686 0.125944 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Ru"
],
"chemical_system": "Ba-Ru-Te",
"density": 5.671434263091852,
"density_atomic": 0.02634072592430297,
"volume": 227.7841551232333,
"volume_molar": 22.862470750829768,
"formula_full": "Ba4 Te1 Ru1",
"formula_reduced": "Ba4TeRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9107470244444444,
"spacegroup": 216
},
{
"id": "jvasp-66531",
"created_at": "2022-09-04T14:35:52.451178Z",
"updated_at": "2022-09-04T14:35:52.451200Z",
"structure_string": "Ba1 Y1 Cd1\n1.0\n0.000000 3.847219 3.847219\n3.847219 -0.000000 3.847219\n3.847219 3.847219 0.000000\nBa Y Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cd"
],
"chemical_system": "Ba-Cd-Y",
"density": 4.937664392141661,
"density_atomic": 0.026342108387965246,
"volume": 113.88610037648282,
"volume_molar": 22.86127090248895,
"formula_full": "Ba1 Y1 Cd1",
"formula_reduced": "BaYCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4112670566666665,
"spacegroup": 216
},
{
"id": "jvasp-105119",
"created_at": "2022-09-04T14:36:43.772119Z",
"updated_at": "2022-09-04T14:36:43.772145Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n5.185894 -0.000000 2.994077\n1.728631 4.889308 2.994077\n-0.000000 -0.000000 5.988155\nBa Cd In\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"In"
],
"chemical_system": "Ba-Cd-In",
"density": 5.48892779284213,
"density_atomic": 0.026344861891233265,
"volume": 151.83226302397406,
"volume_molar": 22.85888149599288,
"formula_full": "Ba2 Cd1 In1",
"formula_reduced": "Ba2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107871",
"created_at": "2022-09-04T14:37:49.560279Z",
"updated_at": "2022-09-04T14:37:49.560304Z",
"structure_string": "Rb3 Nd1 Cl6\n1.0\n7.038320 -0.000000 4.063576\n2.346107 6.635792 4.063576\n-0.000000 -0.000000 8.127152\nRb Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.763974 0.236026 0.236027 Cl\n0.236026 0.236026 0.763974 Cl\n0.236027 0.763974 0.763974 Cl\n0.236027 0.763974 0.236026 Cl\n0.763974 0.236026 0.763974 Cl\n0.763974 0.763974 0.236027 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-Nd-Rb",
"density": 2.6832849817432343,
"density_atomic": 0.026345099601371776,
"volume": 379.5772326280864,
"volume_molar": 22.858675241776016,
"formula_full": "Rb3 Nd1 Cl6",
"formula_reduced": "Rb3NdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66681",
"created_at": "2022-09-04T14:35:52.293250Z",
"updated_at": "2022-09-04T14:35:52.293277Z",
"structure_string": "Ba4 Ge1 Se1\n1.0\n-0.000000 4.847003 4.847003\n4.847003 0.000000 4.847003\n4.847003 4.847003 -0.000000\nBa Ge Se\n4 1 1\ndirect\n0.124175 0.625274 0.625274 Ba\n0.625274 0.625274 0.625274 Ba\n0.625274 0.124175 0.625274 Ba\n0.625274 0.625274 0.124175 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Se"
],
"chemical_system": "Ba-Ge-Se",
"density": 5.110463057099041,
"density_atomic": 0.026345193282940858,
"volume": 227.74552972762373,
"volume_molar": 22.858593958008576,
"formula_full": "Ba4 Ge1 Se1",
"formula_reduced": "Ba4GeSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.233388866111111,
"spacegroup": 216
},
{
"id": "jvasp-66398",
"created_at": "2022-09-04T14:36:19.429522Z",
"updated_at": "2022-09-04T14:36:19.429544Z",
"structure_string": "Ba4 Ta1 Mn1\n1.0\n-0.000000 4.846236 4.846236\n4.846236 -0.000000 4.846236\n4.846236 4.846236 0.000000\nBa Ta Mn\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Mn"
],
"chemical_system": "Ba-Mn-Ta",
"density": 5.727727584733149,
"density_atomic": 0.026357703999391965,
"volume": 227.63743003329924,
"volume_molar": 22.847744098419657,
"formula_full": "Ba4 Ta1 Mn1",
"formula_reduced": "Ba4TaMn",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1329517202298844,
"spacegroup": 216
},
{
"id": "jvasp-58879",
"created_at": "2022-09-04T14:37:02.133557Z",
"updated_at": "2022-09-04T14:37:02.133583Z",
"structure_string": "Tl12 Se2 I8\n1.0\n9.245408 0.000000 0.000000\n0.000000 9.245408 0.000000\n0.000000 0.000000 9.764742\nTl Se I\n12 2 8\ndirect\n0.683375 0.889243 0.500000 Tl\n0.500000 0.500000 0.306069 Tl\n0.500000 0.500000 0.693931 Tl\n0.000000 -0.000000 0.806068 Tl\n0.389243 0.183375 0.000000 Tl\n0.816625 0.389243 0.000000 Tl\n0.000000 -0.000000 0.193931 Tl\n0.889243 0.316625 0.500000 Tl\n0.110757 0.683375 0.500000 Tl\n0.610757 0.816625 0.000000 Tl\n0.316625 0.110757 0.500000 Tl\n0.183375 0.610757 0.000000 Tl\n0.000000 -0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.662902 0.162902 0.250000 I\n0.162902 0.337098 0.750000 I\n0.662902 0.162902 0.750000 I\n0.337098 0.837098 0.750000 I\n0.837098 0.662902 0.750000 I\n0.837098 0.662902 0.250000 I\n0.337098 0.837098 0.250000 I\n0.162902 0.337098 0.250000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Se",
"I"
],
"chemical_system": "I-Se-Tl",
"density": 7.213311038873596,
"density_atomic": 0.02635783561549914,
"volume": 834.6664089164965,
"volume_molar": 22.847630009722096,
"formula_full": "Tl12 Se2 I8",
"formula_reduced": "Tl6SeI4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-13395",
"created_at": "2022-09-04T14:37:08.916167Z",
"updated_at": "2022-09-04T14:37:08.916192Z",
"structure_string": "Tl12 Se2 I8\n1.0\n9.245491 0.000000 -0.000000\n0.000000 9.245491 0.000000\n-0.000000 0.000000 9.764169\nTl Se I\n12 2 8\ndirect\n0.683364 0.889249 0.500000 Tl\n0.500000 0.500000 0.306079 Tl\n0.500000 0.500000 0.693921 Tl\n0.000000 0.000000 0.806079 Tl\n0.389249 0.183364 0.000000 Tl\n0.816636 0.389249 0.000000 Tl\n0.000000 0.000000 0.193921 Tl\n0.889249 0.316636 0.500000 Tl\n0.110751 0.683364 0.500000 Tl\n0.610751 0.816636 0.000000 Tl\n0.316636 0.110751 0.500000 Tl\n0.183364 0.610751 0.000000 Tl\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.662910 0.162910 0.250000 I\n0.162910 0.337090 0.750000 I\n0.662910 0.162910 0.750000 I\n0.337090 0.837090 0.750000 I\n0.837090 0.662910 0.750000 I\n0.837090 0.662910 0.250000 I\n0.337090 0.837090 0.250000 I\n0.162910 0.337090 0.250000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Se",
"I"
],
"chemical_system": "I-Se-Tl",
"density": 7.2136048246127595,
"density_atomic": 0.02635890912476241,
"volume": 834.6324157752223,
"volume_molar": 22.846699502987423,
"formula_full": "Tl12 Se2 I8",
"formula_reduced": "Tl6SeI4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-69082",
"created_at": "2022-09-04T14:35:44.889588Z",
"updated_at": "2022-09-04T14:35:44.889608Z",
"structure_string": "Ba2 Cr1 Bi1\n1.0\n0.000000 4.233470 4.233470\n4.233470 -0.000000 4.233470\n4.233470 4.233470 -0.000000\nBa Cr Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Bi"
],
"chemical_system": "Ba-Bi-Cr",
"density": 5.861313366573704,
"density_atomic": 0.026359704418754678,
"volume": 151.7467698596058,
"volume_molar": 22.846010199246788,
"formula_full": "Ba2 Cr1 Bi1",
"formula_reduced": "Ba2CrBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.27125091,
"spacegroup": 225
},
{
"id": "jvasp-66344",
"created_at": "2022-09-04T14:36:05.114981Z",
"updated_at": "2022-09-04T14:36:05.115010Z",
"structure_string": "Ba4 Rh1 Pb1\n1.0\n-0.000000 4.846043 4.846043\n4.846043 0.000000 4.846043\n4.846043 4.846043 -0.000000\nBa Rh Pb\n4 1 1\ndirect\n0.124204 0.625265 0.625265 Ba\n0.625265 0.625265 0.625265 Ba\n0.625265 0.124204 0.625265 Ba\n0.625265 0.625265 0.124204 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Pb"
],
"chemical_system": "Ba-Pb-Rh",
"density": 6.26988366911009,
"density_atomic": 0.026360853314909272,
"volume": 227.61023432448968,
"volume_molar": 22.845014491977675,
"formula_full": "Ba4 Rh1 Pb1",
"formula_reduced": "Ba4RhPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4876096166666666,
"spacegroup": 216
}
]
}