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=-density&page=846",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=844",
"results": [
{
"id": "jvasp-10776",
"created_at": "2022-09-04T14:38:12.537541Z",
"updated_at": "2022-09-04T14:38:12.537567Z",
"structure_string": "Ca3 P6 Ir6\n1.0\n3.332921 -5.772789 -0.000000\n3.332921 5.772789 0.000000\n-0.000000 -0.000000 7.136890\nCa P Ir\n3 6 6\ndirect\n0.606565 -0.000000 0.666667 Ca\n-0.000000 0.606565 0.333333 Ca\n0.393435 0.393435 0.000000 Ca\n0.776657 0.659676 0.710826 P\n0.116981 0.340324 0.622507 P\n0.659676 0.776657 0.289174 P\n0.340324 0.116981 0.377493 P\n0.883019 0.223342 0.044160 P\n0.223342 0.883019 0.955840 P\n0.137179 -0.000000 0.666667 Ir\n-0.000000 0.137179 0.333333 Ir\n0.511847 -0.000000 0.166667 Ir\n0.488152 0.488152 0.500000 Ir\n-0.000000 0.511847 0.833333 Ir\n0.862820 0.862820 0.000000 Ir\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ca",
"P",
"Ir"
],
"chemical_system": "Ca-Ir-P",
"density": 8.824037808020973,
"density_atomic": 0.054618724835396655,
"volume": 274.6310911725822,
"volume_molar": 11.025780587424558,
"formula_full": "Ca3 P6 Ir6",
"formula_reduced": "Ca(PIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.967760724000001,
"spacegroup": 154
},
{
"id": "jvasp-99611",
"created_at": "2022-09-04T14:36:08.222100Z",
"updated_at": "2022-09-04T14:36:08.222126Z",
"structure_string": "Zr1 Nb1 Co4\n1.0\n4.171247 -0.000000 2.408271\n1.390416 3.932689 2.408271\n-0.000000 -0.000000 4.816541\nZr Nb Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n0.625152 0.625152 0.124544 Co\n0.625152 0.124545 0.625151 Co\n0.124545 0.625152 0.625151 Co\n0.625152 0.625152 0.625151 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"Co"
],
"chemical_system": "Co-Nb-Zr",
"density": 8.824012106524048,
"density_atomic": 0.07593823138728692,
"volume": 79.01158468387085,
"volume_molar": 7.930314743948841,
"formula_full": "Zr1 Nb1 Co4",
"formula_reduced": "ZrNbCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.200804583333333,
"spacegroup": 216
},
{
"id": "jvasp-96502",
"created_at": "2022-09-04T14:35:43.080546Z",
"updated_at": "2022-09-04T14:35:43.080571Z",
"structure_string": "Yb2 S1 O2\n1.0\n4.348338 -0.000000 0.000000\n-2.174168 3.765771 0.000000\n-0.000000 0.000000 4.713580\nYb S O\n2 1 2\ndirect\n0.666667 0.333333 0.415321 Yb\n0.333333 0.666667 -0.087284 Yb\n-0.000000 -0.000000 0.163904 S\n0.333333 0.666667 0.431335 O\n0.666667 0.333333 0.896725 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"S",
"O"
],
"chemical_system": "O-S-Yb",
"density": 8.823830651442004,
"density_atomic": 0.06478014569981275,
"volume": 77.18414254839277,
"volume_molar": 9.296275417326527,
"formula_full": "Yb2 S1 O2",
"formula_reduced": "Yb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6518756799999997,
"spacegroup": 164
},
{
"id": "jvasp-51894",
"created_at": "2022-09-04T14:36:49.654146Z",
"updated_at": "2022-09-04T14:36:49.654154Z",
"structure_string": "Fe4 Bi4 O12\n1.0\n5.427612 0.000000 0.000000\n0.000000 5.609711 0.000000\n0.000000 0.000000 7.734015\nFe Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.490323 0.445768 0.750000 Bi\n0.990322 0.054232 0.250000 Bi\n0.509677 0.554232 0.250000 Bi\n0.009677 0.945768 0.750000 Bi\n0.203965 0.204583 0.541317 O\n0.703965 0.295417 0.458682 O\n0.296034 0.704583 0.958682 O\n0.917171 0.519947 0.750000 O\n0.796034 0.795417 0.458682 O\n0.296034 0.704583 0.541317 O\n0.582828 0.019947 0.750000 O\n0.203965 0.204583 0.958682 O\n0.796034 0.795417 0.041318 O\n0.417171 0.980053 0.250000 O\n0.703965 0.295417 0.041318 O\n0.082829 0.480053 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 8.823772583703581,
"density_atomic": 0.08493285121655655,
"volume": 235.480143590202,
"volume_molar": 7.090472854426041,
"formula_full": "Fe4 Bi4 O12",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.19179206,
"spacegroup": 62
},
{
"id": "jvasp-68642",
"created_at": "2022-09-04T14:35:50.757748Z",
"updated_at": "2022-09-04T14:35:50.757776Z",
"structure_string": "Be1 Tl2 Ga1\n1.0\n-2.063399 2.063399 5.387699\n2.063399 -2.063399 5.387699\n2.063399 2.063399 -5.387699\nBe Tl Ga\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Ga"
],
"chemical_system": "Be-Ga-Tl",
"density": 8.822579036718398,
"density_atomic": 0.043594353748396576,
"volume": 91.75500164736637,
"volume_molar": 13.814038383861806,
"formula_full": "Be1 Tl2 Ga1",
"formula_reduced": "BeTl2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1754072812499999,
"spacegroup": 119
},
{
"id": "jvasp-108909",
"created_at": "2022-09-04T14:38:10.765831Z",
"updated_at": "2022-09-04T14:38:10.765849Z",
"structure_string": "Tb4 Cd2 Cu4\n1.0\n7.538362 0.000000 0.000000\n0.000000 7.538362 0.000000\n-0.000000 -0.000000 3.692062\nTb Cd Cu\n4 2 4\ndirect\n0.674142 0.174142 0.500000 Tb\n0.325857 0.825857 0.500000 Tb\n0.174142 0.325857 0.500000 Tb\n0.825857 0.674142 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120123 0.620123 -0.000000 Cu\n0.879877 0.379877 -0.000000 Cu\n0.620123 0.879877 -0.000000 Cu\n0.379877 0.120123 -0.000000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Tb",
"density": 8.822405566983427,
"density_atomic": 0.04766252398121904,
"volume": 209.80844413402033,
"volume_molar": 12.634959832116667,
"formula_full": "Tb4 Cd2 Cu4",
"formula_reduced": "Tb2CdCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-67759",
"created_at": "2022-09-04T14:36:16.415022Z",
"updated_at": "2022-09-04T14:36:16.415042Z",
"structure_string": "Be1 Tl1 Cu1\n1.0\n-1.540244 1.540244 5.493253\n1.540244 -1.540244 5.493253\n1.540244 1.540244 -5.493253\nBe Tl Cu\n1 1 1\ndirect\n0.939684 0.939684 0.000000 Be\n0.669189 0.669189 0.000000 Tl\n0.391124 0.391124 0.000000 Cu\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cu"
],
"chemical_system": "Be-Cu-Tl",
"density": 8.822028676225218,
"density_atomic": 0.05755096503962283,
"volume": 52.127709725363474,
"volume_molar": 10.46401351541866,
"formula_full": "Be1 Tl1 Cu1",
"formula_reduced": "BeTlCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3717638416666666,
"spacegroup": 107
},
{
"id": "jvasp-119560",
"created_at": "2022-09-04T14:38:50.268468Z",
"updated_at": "2022-09-04T14:38:50.268495Z",
"structure_string": "Sm4 Ga4 Pd4\n1.0\n4.508330 -0.000000 0.000000\n0.000000 7.071324 0.000000\n-0.000000 -0.000000 7.711077\nSm Ga Pd\n4 4 4\ndirect\n0.250000 0.017597 0.300331 Sm\n0.250000 0.517597 0.199669 Sm\n0.750000 0.982402 0.699669 Sm\n0.750000 0.482403 0.800332 Sm\n0.250000 0.677963 0.578519 Ga\n0.250000 0.177963 0.921482 Ga\n0.750000 0.322037 0.421482 Ga\n0.750000 0.822036 0.078519 Ga\n0.250000 0.285562 0.593459 Pd\n0.250000 0.785562 0.906542 Pd\n0.750000 0.714438 0.406542 Pd\n0.750000 0.214438 0.093458 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sm",
"density": 8.82195403115859,
"density_atomic": 0.048814604128212626,
"volume": 245.82807162548605,
"volume_molar": 12.336760417400324,
"formula_full": "Sm4 Ga4 Pd4",
"formula_reduced": "SmGaPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5190622999999998,
"spacegroup": 62
},
{
"id": "jvasp-107463",
"created_at": "2022-09-04T14:36:51.096020Z",
"updated_at": "2022-09-04T14:36:51.096054Z",
"structure_string": "Lu1 Sc1 Co2\n1.0\n3.879996 -0.000000 2.240117\n1.293332 3.658095 2.240117\n-0.000000 -0.000000 4.480233\nLu Sc Co\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750001 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Sc",
"Co"
],
"chemical_system": "Co-Lu-Sc",
"density": 8.820803150285697,
"density_atomic": 0.0629032570198201,
"volume": 63.58971203573205,
"volume_molar": 9.573654919176114,
"formula_full": "Lu1 Sc1 Co2",
"formula_reduced": "LuScCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5268532,
"spacegroup": 225
},
{
"id": "jvasp-105771",
"created_at": "2022-09-04T14:35:58.579639Z",
"updated_at": "2022-09-04T14:35:58.579656Z",
"structure_string": "Ge3 Au1\n1.0\n3.846987 0.058343 -3.860345\n-0.616195 3.797765 -3.860345\n-0.048882 -0.058343 5.449696\nGe Au\n3 1\ndirect\n0.750000 0.249999 0.499999 Ge\n0.249999 0.749999 0.499999 Ge\n0.500000 0.499999 -0.000002 Ge\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Au"
],
"chemical_system": "Au-Ge",
"density": 8.820645313416481,
"density_atomic": 0.051213195758848695,
"volume": 78.10487005800402,
"volume_molar": 11.75896303827024,
"formula_full": "Ge3 Au1",
"formula_reduced": "Ge3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.771706355,
"spacegroup": 139
},
{
"id": "jvasp-19652",
"created_at": "2022-09-04T14:38:19.590601Z",
"updated_at": "2022-09-04T14:38:19.590617Z",
"structure_string": "Si2 Mo6\n1.0\n4.917917 0.000000 0.000000\n0.000000 4.917917 0.000000\n0.000000 0.000000 4.917917\nSi Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 8.820489671074299,
"density_atomic": 0.06725837997716665,
"volume": 118.94428623936373,
"volume_molar": 8.953740429139742,
"formula_full": "Si2 Mo6",
"formula_reduced": "SiMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.203481575,
"spacegroup": 223
},
{
"id": "jvasp-19686",
"created_at": "2022-09-04T14:38:32.248954Z",
"updated_at": "2022-09-04T14:38:32.248985Z",
"structure_string": "Zn6 Ru2\n1.0\n3.683910 0.000000 -0.867719\n-0.204385 3.678236 -0.867719\n0.001493 0.001578 8.260230\nZn Ru\n6 2\ndirect\n0.629090 0.629091 0.258180 Zn\n0.370908 0.370910 0.741820 Zn\n0.500000 -0.000000 -0.000000 Zn\n-0.000001 0.500001 -0.000000 Zn\n0.749999 0.250001 0.500000 Zn\n0.249999 0.750001 0.500000 Zn\n0.882668 0.882671 0.765339 Ru\n0.117330 0.117330 0.234661 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Ru"
],
"chemical_system": "Ru-Zn",
"density": 8.82042947702015,
"density_atomic": 0.07146774826873453,
"volume": 111.938604388629,
"volume_molar": 8.426375401328471,
"formula_full": "Zn6 Ru2",
"formula_reduced": "Zn3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}