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=updated_at&page=548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=546",
"results": [
{
"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-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-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-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-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-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-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-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-69849",
"created_at": "2022-09-04T14:35:58.834819Z",
"updated_at": "2022-09-04T14:35:58.834844Z",
"structure_string": "Be1 Hg1 Br1\n1.0\n1.769792 -3.065370 0.000000\n1.769792 3.065370 -0.000000\n0.000000 0.000000 5.968689\nBe Hg Br\n1 1 1\ndirect\n0.000000 0.000000 0.991337 Be\n0.666666 0.333332 0.244566 Hg\n0.333332 0.666666 0.764098 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Br"
],
"chemical_system": "Be-Br-Hg",
"density": 7.42322907714379,
"density_atomic": 0.046324120026977667,
"volume": 64.76107907182904,
"volume_molar": 13.000011131334823,
"formula_full": "Be1 Hg1 Br1",
"formula_reduced": "BeHgBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2425283674999998,
"spacegroup": 156
},
{
"id": "jvasp-98047",
"created_at": "2022-09-04T14:35:58.835550Z",
"updated_at": "2022-09-04T14:35:58.835574Z",
"structure_string": "Ta4 Tl8 Se22\n1.0\n8.011729 -0.031811 0.109800\n0.613380 8.803523 2.723774\n-0.003763 -0.013085 13.968177\nTa Tl Se\n4 8 22\ndirect\n0.121446 0.367634 0.302074 Ta\n0.878555 0.632366 0.697926 Ta\n0.662408 0.893411 0.811538 Ta\n0.337592 0.106590 0.188462 Ta\n0.756430 0.586789 0.420016 Tl\n0.243570 0.413211 0.579984 Tl\n0.056748 0.760673 0.986292 Tl\n0.504882 0.283386 0.887466 Tl\n0.785215 0.020669 0.426929 Tl\n0.214785 0.979331 0.573071 Tl\n0.943252 0.239327 0.013708 Tl\n0.495118 0.716614 0.112534 Tl\n0.655994 0.147449 0.665909 Se\n0.608037 0.822184 0.628918 Se\n0.391963 0.177816 0.371082 Se\n0.945355 0.338515 0.751857 Se\n0.054645 0.661486 0.248143 Se\n0.875907 0.506546 0.183802 Se\n0.124093 0.493454 0.816198 Se\n0.596532 0.552640 0.649708 Se\n0.403469 0.447360 0.350292 Se\n0.344007 0.852551 0.334091 Se\n0.261876 0.402618 0.109342 Se\n0.395958 0.080007 0.753487 Se\n0.975044 0.870607 0.751835 Se\n0.024956 0.129393 0.248165 Se\n0.738124 0.597383 0.890658 Se\n0.021867 0.710545 0.534834 Se\n0.552928 0.307940 0.119526 Se\n0.447073 0.692060 0.880474 Se\n0.728042 0.965245 0.961088 Se\n0.271958 0.034755 0.038912 Se\n0.604042 0.919993 0.246513 Se\n0.978133 0.289456 0.465166 Se\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"Se"
],
"chemical_system": "Se-Ta-Tl",
"density": 6.899806535380941,
"density_atomic": 0.034491265284079066,
"volume": 985.756820457792,
"volume_molar": 17.459900964490796,
"formula_full": "Ta4 Tl8 Se22",
"formula_reduced": "Ta2Tl4Se11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 1.8985991666666668,
"spacegroup": 2
},
{
"id": "jvasp-28450",
"created_at": "2022-09-04T14:35:58.837928Z",
"updated_at": "2022-09-04T14:35:58.837946Z",
"structure_string": "Tm2 Te6\n1.0\n4.012314 -0.000000 0.000000\n-0.000000 -0.000000 4.579762\n-2.006157 -13.856183 0.000000\nTm Te\n2 6\ndirect\n0.949383 0.250000 0.898769 Tm\n0.050615 0.750000 0.101231 Tm\n0.836563 0.250000 0.673128 Te\n0.163435 0.750000 0.326872 Te\n0.687235 0.250000 0.374471 Te\n0.312763 0.750000 0.625529 Te\n0.552603 0.250000 0.105206 Te\n0.447396 0.750000 0.894793 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Te"
],
"chemical_system": "Te-Tm",
"density": 7.1966034586456,
"density_atomic": 0.03142017170683954,
"volume": 254.613503536601,
"volume_molar": 19.166479471177116,
"formula_full": "Tm2 Te6",
"formula_reduced": "TmTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8812168875000002,
"spacegroup": 63
},
{
"id": "jvasp-68719",
"created_at": "2022-09-04T14:35:58.837976Z",
"updated_at": "2022-09-04T14:35:58.838003Z",
"structure_string": "Be1 Cu1 Pb2\n1.0\n-1.980096 1.980096 5.443071\n1.980096 -1.980096 5.443071\n1.980096 1.980096 -5.443071\nBe Cu Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cu\n0.000000 0.000000 0.000000 Pb\n0.250000 0.750001 0.500001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pb"
],
"chemical_system": "Be-Cu-Pb",
"density": 9.472492743562443,
"density_atomic": 0.04685797407509217,
"volume": 85.36433934573881,
"volume_molar": 12.851901685611134,
"formula_full": "Be1 Cu1 Pb2",
"formula_reduced": "BeCuPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6209395475,
"spacegroup": 119
}
]
}