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=-created_at&page=4098",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4096",
"results": [
{
"id": "jvasp-18414",
"created_at": "2022-09-04T14:35:58.832702Z",
"updated_at": "2022-09-04T14:35:58.832728Z",
"structure_string": "Ti1 H2\n1.0\n2.738596 -0.042544 -1.498220\n-1.766042 2.571349 -0.125051\n-0.029220 0.042544 3.121492\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.250000 0.750000 H\n0.500002 0.750001 0.250001 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.806451554780709,
"density_atomic": 0.13786084765112985,
"volume": 21.761073220670955,
"volume_molar": 4.368274867451568,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.485919444444445,
"spacegroup": 225
},
{
"id": "jvasp-66424",
"created_at": "2022-09-04T14:35:58.831650Z",
"updated_at": "2022-09-04T14:35:58.831678Z",
"structure_string": "Ba4 Ti1 Rh1\n1.0\n0.000000 4.845633 4.845633\n4.845633 0.000000 4.845633\n4.845633 4.845633 -0.000000\nBa Ti Rh\n4 1 1\ndirect\n0.126968 0.624344 0.624344 Ba\n0.624344 0.624344 0.624344 Ba\n0.624344 0.126968 0.624344 Ba\n0.624344 0.624344 0.126968 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Rh"
],
"chemical_system": "Ba-Rh-Ti",
"density": 5.108760317909315,
"density_atomic": 0.026367545235884332,
"volume": 227.55246824548655,
"volume_molar": 22.839216567662508,
"formula_full": "Ba4 Ti1 Rh1",
"formula_reduced": "Ba4TiRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2384142022222222,
"spacegroup": 216
},
{
"id": "jvasp-20066",
"created_at": "2022-09-04T14:35:58.829081Z",
"updated_at": "2022-09-04T14:35:58.829101Z",
"structure_string": "Ca1 Cd1\n1.0\n3.800561 0.000000 0.000000\n-0.000000 3.800561 0.000000\n-0.000000 -0.000000 3.800561\nCa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 4.612586158868807,
"density_atomic": 0.036432323808189504,
"volume": 54.89630610799596,
"volume_molar": 16.529664129319972,
"formula_full": "Ca1 Cd1",
"formula_reduced": "CaCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.2334612499999999,
"spacegroup": 221
},
{
"id": "jvasp-14793",
"created_at": "2022-09-04T14:35:58.825194Z",
"updated_at": "2022-09-04T14:35:58.825230Z",
"structure_string": "Ga3 Ag6\n1.0\n3.912121 -6.775993 0.000000\n3.912121 6.775993 -0.000000\n-0.000000 0.000000 2.923109\nGa Ag\n3 6\ndirect\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.694620 0.000000 Ag\n0.305380 0.305380 0.000000 Ag\n0.694620 0.000000 0.000000 Ag\n0.361198 0.000000 0.500000 Ag\n0.638802 0.638802 0.500000 Ag\n0.000000 0.361198 0.500000 Ag\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 9.176022452166064,
"density_atomic": 0.058074071664440716,
"volume": 154.97449622618387,
"volume_molar": 10.369758116490756,
"formula_full": "Ga3 Ag6",
"formula_reduced": "GaAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0303624999999999,
"spacegroup": 189
},
{
"id": "jvasp-88843",
"created_at": "2022-09-04T14:35:58.822410Z",
"updated_at": "2022-09-04T14:35:58.822442Z",
"structure_string": "La3 Ga1\n1.0\n4.926284 -0.000000 0.000000\n-0.000000 4.926284 -0.000000\n-0.000000 0.000000 4.926284\nLa Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Ga"
],
"chemical_system": "Ga-La",
"density": 6.756464740457131,
"density_atomic": 0.03345812932473605,
"volume": 119.55241015350927,
"volume_molar": 17.999036053542152,
"formula_full": "La3 Ga1",
"formula_reduced": "La3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 1.23308933125,
"spacegroup": 221
},
{
"id": "jvasp-71841",
"created_at": "2022-09-04T14:35:58.817930Z",
"updated_at": "2022-09-04T14:35:58.817957Z",
"structure_string": "Mn2 Be1 V1\n1.0\n-1.667357 1.667357 3.923503\n1.667357 -1.667357 3.923503\n1.667357 1.667357 -3.923503\nMn Be V\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750001 0.500001 Mn\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"V"
],
"chemical_system": "Be-Mn-V",
"density": 6.463559475310692,
"density_atomic": 0.09167877816948185,
"volume": 43.63059892230899,
"volume_molar": 6.5687402038312275,
"formula_full": "Mn2 Be1 V1",
"formula_reduced": "Mn2BeV",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.651093695689656,
"spacegroup": 119
},
{
"id": "jvasp-1318",
"created_at": "2022-09-04T14:35:58.817397Z",
"updated_at": "2022-09-04T14:35:58.817423Z",
"structure_string": "Ca1 Te1\n1.0\n3.889732 -0.000000 2.245738\n1.296578 3.667274 2.245738\n-0.000000 -0.000000 4.491475\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.34583423489446,
"density_atomic": 0.03121605158840821,
"volume": 64.06960195897041,
"volume_molar": 19.291808071704576,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65272",
"created_at": "2022-09-04T14:35:58.811330Z",
"updated_at": "2022-09-04T14:35:58.811353Z",
"structure_string": "Be1 Ga4 Mo1\n1.0\n-0.000000 3.558702 3.558702\n3.558702 0.000000 3.558702\n3.558702 3.558702 0.000000\nBe Ga Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123334 0.625554 0.625554 Ga\n0.625554 0.625554 0.625554 Ga\n0.625554 0.123334 0.625554 Ga\n0.625554 0.625554 0.123334 Ga\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Mo"
],
"chemical_system": "Be-Ga-Mo",
"density": 7.07129893051705,
"density_atomic": 0.06656506915141006,
"volume": 90.13736598623967,
"volume_molar": 9.046998428412858,
"formula_full": "Be1 Ga4 Mo1",
"formula_reduced": "BeGa4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1902435500000006,
"spacegroup": 216
},
{
"id": "jvasp-65682",
"created_at": "2022-09-04T14:35:58.808506Z",
"updated_at": "2022-09-04T14:35:58.808532Z",
"structure_string": "K1 Ba1 Se2\n1.0\n4.170431 -0.000000 0.000000\n-0.000000 4.170599 0.000000\n0.000000 0.000000 6.985380\nK Ba Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.760415 Se\n0.000000 0.000000 0.239585 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Se"
],
"chemical_system": "Ba-K-Se",
"density": 4.569565519015409,
"density_atomic": 0.032922331227103335,
"volume": 121.49807899104657,
"volume_molar": 18.291963343842028,
"formula_full": "K1 Ba1 Se2",
"formula_reduced": "KBaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.23932450875,
"spacegroup": 123
},
{
"id": "jvasp-42852",
"created_at": "2022-09-04T14:35:58.799883Z",
"updated_at": "2022-09-04T14:35:58.799910Z",
"structure_string": "Pr2 Cu1 Ir1\n1.0\n0.000001 3.585900 3.585900\n3.585899 0.000002 3.585899\n3.585899 3.585900 0.000001\nPr Cu Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.499999 0.499999 Pr\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ir"
],
"chemical_system": "Cu-Ir-Pr",
"density": 9.679807765491423,
"density_atomic": 0.04337464136009604,
"volume": 92.21978267882427,
"volume_molar": 13.88401280371224,
"formula_full": "Pr2 Cu1 Ir1",
"formula_reduced": "Pr2CuIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7744753125000003,
"spacegroup": 225
},
{
"id": "jvasp-15058",
"created_at": "2022-09-04T14:35:58.796004Z",
"updated_at": "2022-09-04T14:35:58.796036Z",
"structure_string": "Sc1 Pd1\n1.0\n3.298776 0.000000 0.000000\n0.000000 3.298776 0.000000\n-0.000000 0.000000 3.298776\nSc Pd\n1 1\ndirect\n0.500001 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Pd"
],
"chemical_system": "Pd-Sc",
"density": 7.002407674820673,
"density_atomic": 0.05571492073487527,
"volume": 35.89702675010864,
"volume_molar": 10.808847397731977,
"formula_full": "Sc1 Pd1",
"formula_reduced": "ScPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.951770475,
"spacegroup": 221
},
{
"id": "jvasp-64059",
"created_at": "2022-09-04T14:35:58.794348Z",
"updated_at": "2022-09-04T14:35:58.794367Z",
"structure_string": "Ba4 Ta1 Bi1\n1.0\n-0.000000 4.953194 4.953194\n4.953194 0.000000 4.953194\n4.953194 4.953194 -0.000000\nBa Ta Bi\n4 1 1\ndirect\n0.125674 0.624775 0.624775 Ba\n0.624775 0.624775 0.624775 Ba\n0.624775 0.125674 0.624775 Ba\n0.624775 0.624775 0.125674 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Bi"
],
"chemical_system": "Ba-Bi-Ta",
"density": 6.417087291863183,
"density_atomic": 0.02468682510059899,
"volume": 243.04461896375724,
"volume_molar": 24.394148439338522,
"formula_full": "Ba4 Ta1 Bi1",
"formula_reduced": "Ba4TaBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3579078966666662,
"spacegroup": 216
}
]
}