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=-id&page=626",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=624",
"results": [
{
"id": "jvasp-8235",
"created_at": "2022-09-04T14:36:36.574922Z",
"updated_at": "2022-09-04T14:36:36.574931Z",
"structure_string": "Al1 Cu1 O2\n1.0\n3.051593 0.184470 5.087170\n1.548771 2.635823 5.087170\n0.300901 0.184470 5.924608\nAl Cu O\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Al\n0.000000 0.000000 0.000000 Cu\n0.889991 0.889991 0.889995 O\n0.110007 0.110007 0.110008 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.986880584102925,
"density_atomic": 0.09804160373778491,
"volume": 40.79900621269023,
"volume_molar": 6.142433957023377,
"formula_full": "Al1 Cu1 O2",
"formula_reduced": "AlCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9424900625,
"spacegroup": 166
},
{
"id": "jvasp-8234",
"created_at": "2022-09-04T14:36:35.535323Z",
"updated_at": "2022-09-04T14:36:35.535338Z",
"structure_string": "Ca1 Fe2 O4\n1.0\n3.289946 0.000000 0.000000\n0.000000 5.211304 -0.000164\n0.000000 -0.000164 5.211304\nCa Fe O\n1 2 4\ndirect\n0.500149 0.500001 0.000000 Ca\n0.000149 0.000000 0.000000 Fe\n0.000149 0.500001 0.500001 Fe\n0.999148 0.741876 0.241878 O\n0.001155 0.258116 0.241884 O\n0.001155 0.741885 0.758115 O\n0.999148 0.258122 0.758123 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.010049345428851,
"density_atomic": 0.07834593250613012,
"volume": 89.34733145785572,
"volume_molar": 7.686602950994045,
"formula_full": "Ca1 Fe2 O4",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.376097917142857,
"spacegroup": 123
},
{
"id": "jvasp-8233",
"created_at": "2022-09-04T14:36:35.430110Z",
"updated_at": "2022-09-04T14:36:35.430135Z",
"structure_string": "Y1 Mn1 O3\n1.0\n3.795210 0.000000 0.000000\n0.000000 3.795210 0.000000\n0.000000 0.000000 3.795383\nY Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.827278499926681,
"density_atomic": 0.09146243786174095,
"volume": 54.66725047891509,
"volume_molar": 6.584277546924083,
"formula_full": "Y1 Mn1 O3",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.534398638275862,
"spacegroup": 221
},
{
"id": "jvasp-8227",
"created_at": "2022-09-04T14:36:35.166902Z",
"updated_at": "2022-09-04T14:36:35.166923Z",
"structure_string": "La1 V1 Cr1 O6\n1.0\n5.310875 0.011556 0.001467\n-0.011147 5.311133 -0.009122\n-2.651145 -2.655105 3.761021\nLa V Cr O\n1 1 1 6\ndirect\n0.260418 0.760446 0.011323 La\n0.010169 0.010288 0.511313 V\n0.510172 0.510194 0.511272 Cr\n0.258968 0.757493 0.518835 O\n0.267563 0.256342 0.513386 O\n0.752536 0.763881 0.508994 O\n0.764237 0.756812 0.009806 O\n0.256060 0.263533 0.012777 O\n0.761284 0.262836 0.503946 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-V",
"density": 5.293457156458921,
"density_atomic": 0.08492243284308126,
"volume": 105.9790646439687,
"volume_molar": 7.091342721101321,
"formula_full": "La1 V1 Cr1 O6",
"formula_reduced": "LaVCrO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.0567475111111118,
"spacegroup": 8
},
{
"id": "jvasp-8222",
"created_at": "2022-09-04T14:36:33.965347Z",
"updated_at": "2022-09-04T14:36:33.965375Z",
"structure_string": "Al4 Cu2\n1.0\n4.264497 -0.000000 2.422724\n2.132249 4.296432 1.211362\n0.009959 0.000000 4.947031\nAl Cu\n4 2\ndirect\n0.158135 0.500000 0.183730 Al\n0.341867 0.816269 0.499999 Al\n0.658135 0.183731 0.499999 Al\n0.841867 0.500000 0.816268 Al\n0.250000 0.000000 -0.000000 Cu\n0.750001 0.000000 -0.000001 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 4.31049457177905,
"density_atomic": 0.06627165922150573,
"volume": 90.5364385090414,
"volume_molar": 9.087052943508866,
"formula_full": "Al4 Cu2",
"formula_reduced": "Al2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8186453499999999,
"spacegroup": 140
},
{
"id": "jvasp-8220",
"created_at": "2022-09-04T14:38:15.683999Z",
"updated_at": "2022-09-04T14:38:15.684013Z",
"structure_string": "Ti2 Fe1 S4\n1.0\n3.260489 0.000000 -0.865834\n-0.695225 5.253664 -2.618023\n0.012772 -0.003245 6.620062\nTi Fe S\n2 1 4\ndirect\n0.255698 0.245633 0.511398 Ti\n0.744300 0.754367 0.488603 Ti\n0.000000 0.000000 0.000000 Fe\n0.882272 0.209210 0.764545 S\n0.117727 0.790790 0.235456 S\n0.376485 0.710146 0.752975 S\n0.623513 0.289854 0.247026 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ti",
"density": 4.096767562126546,
"density_atomic": 0.06171376273520772,
"volume": 113.42688712782859,
"volume_molar": 9.758181146463082,
"formula_full": "Ti2 Fe1 S4",
"formula_reduced": "Ti2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.865254595238095,
"spacegroup": 12
},
{
"id": "jvasp-822",
"created_at": "2022-09-04T14:38:14.454237Z",
"updated_at": "2022-09-04T14:38:14.454264Z",
"structure_string": "As2\n1.0\n3.432088 0.023002 2.523934\n1.289490 3.180719 2.523934\n0.033900 0.023002 4.260084\nAs\n2\ndirect\n0.226063 0.226062 0.226062 As\n0.773938 0.773936 0.773935 As\n",
"nsites": 2,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.410986290486954,
"density_atomic": 0.0434930929171342,
"volume": 45.98431304507424,
"volume_molar": 13.846200295467066,
"formula_full": "As2",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 1.7500000000225668e-06,
"spacegroup": 166
},
{
"id": "jvasp-8219",
"created_at": "2022-09-04T14:38:13.740646Z",
"updated_at": "2022-09-04T14:38:13.740663Z",
"structure_string": "Ca4 Sb2\n1.0\n4.559164 0.000000 -1.254265\n-0.345059 4.546088 -1.254265\n0.019739 0.021294 8.985002\nCa Sb\n4 2\ndirect\n0.669846 0.669846 0.339692 Ca\n0.994818 0.494818 0.989639 Ca\n0.319780 0.319780 0.639561 Ca\n0.494819 0.994818 0.989639 Ca\n0.858870 0.858871 0.717742 Sb\n0.130764 0.130763 0.261528 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.5961767087675622,
"density_atomic": 0.03217677006108858,
"volume": 186.4699281067931,
"volume_molar": 18.71580257610314,
"formula_full": "Ca4 Sb2",
"formula_reduced": "Ca2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-8218",
"created_at": "2022-09-04T14:38:17.197725Z",
"updated_at": "2022-09-04T14:38:17.197742Z",
"structure_string": "Hf2 S6\n1.0\n0.000000 5.123018 -0.012751\n3.604546 0.000000 0.000000\n0.000000 -1.152323 -8.941920\nHf S\n2 6\ndirect\n0.716064 0.250000 0.345334 Hf\n0.283937 0.750001 0.654666 Hf\n0.120484 0.250000 0.830229 S\n0.879517 0.750001 0.169771 S\n0.762022 0.750001 0.553434 S\n0.237979 0.250000 0.446566 S\n0.471062 0.750001 0.172751 S\n0.528939 0.250000 0.827249 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"S"
],
"chemical_system": "Hf-S",
"density": 5.522904416779162,
"density_atomic": 0.048433234888492147,
"volume": 165.17583470148963,
"volume_molar": 12.43390158403579,
"formula_full": "Hf2 S6",
"formula_reduced": "HfS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.45803325,
"spacegroup": 11
},
{
"id": "jvasp-8217",
"created_at": "2022-09-04T14:38:14.527759Z",
"updated_at": "2022-09-04T14:38:14.527791Z",
"structure_string": "K3 Sb1 S4\n1.0\n6.273381 0.000000 -2.217975\n-3.136691 5.432908 -2.217975\n-0.000000 -0.000000 6.653926\nK Sb S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000001 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.640583 S\n0.000000 0.640582 -0.000000 S\n0.640582 -0.000000 -0.000000 S\n0.359418 0.359418 0.359418 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"S"
],
"chemical_system": "K-S-Sb",
"density": 2.689525469949326,
"density_atomic": 0.035275892076770586,
"volume": 226.78377580330718,
"volume_molar": 17.071547749647475,
"formula_full": "K3 Sb1 S4",
"formula_reduced": "K3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8078025124999999,
"spacegroup": 217
},
{
"id": "jvasp-8216",
"created_at": "2022-09-04T14:38:34.689430Z",
"updated_at": "2022-09-04T14:38:34.689459Z",
"structure_string": "Ba2 Cu2 As2\n1.0\n2.191836 -3.796371 0.000000\n2.191836 3.796371 -0.000000\n0.000000 -0.000000 9.213172\nBa Cu As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.750000 Cu\n0.333334 0.666668 0.250000 Cu\n0.333334 0.666668 0.750000 As\n0.666668 0.333334 0.250000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"As"
],
"chemical_system": "As-Ba-Cu",
"density": 5.973776553364073,
"density_atomic": 0.03913229985530347,
"volume": 153.3260253597602,
"volume_molar": 15.389181781463426,
"formula_full": "Ba2 Cu2 As2",
"formula_reduced": "BaCuAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2131860566666664,
"spacegroup": 194
},
{
"id": "jvasp-8215",
"created_at": "2022-09-04T14:38:33.650175Z",
"updated_at": "2022-09-04T14:38:33.650195Z",
"structure_string": "Te3 As2\n1.0\n4.008867 -0.013806 9.338675\n1.908592 3.525406 9.338675\n-0.023266 -0.013806 10.162742\nTe As\n3 2\ndirect\n0.215480 0.215480 0.215481 Te\n0.783254 0.783254 0.783256 Te\n0.999366 0.999365 0.999368 Te\n0.602975 0.602974 0.602976 As\n0.395758 0.395758 0.395759 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Te",
"As"
],
"chemical_system": "As-Te",
"density": 6.102502959097034,
"density_atomic": 0.03449788885007725,
"volume": 144.93640528929944,
"volume_molar": 17.456548678011394,
"formula_full": "Te3 As2",
"formula_reduced": "Te3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.5687733600000002,
"spacegroup": 166
}
]
}