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=formula_anonymous&page=3568",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3566",
"results": [
{
"id": "jvasp-108750",
"created_at": "2022-09-04T14:38:12.804532Z",
"updated_at": "2022-09-04T14:38:12.804565Z",
"structure_string": "Mo1 Cl2 O1\n1.0\n3.591869 0.174144 -5.731945\n-0.267545 3.252295 -5.927735\n0.029027 -0.174144 6.764309\nMo Cl O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.852623 0.352621 0.500001 Cl\n0.147379 0.647377 0.500001 Cl\n0.500001 0.000000 0.500001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O",
"density": 4.001824963014109,
"density_atomic": 0.0527211583829422,
"volume": 75.87086708045834,
"volume_molar": 11.42262602854426,
"formula_full": "Mo1 Cl2 O1",
"formula_reduced": "MoCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.79854438375,
"spacegroup": 71
},
{
"id": "jvasp-38907",
"created_at": "2022-09-04T14:38:05.171246Z",
"updated_at": "2022-09-04T14:38:05.171272Z",
"structure_string": "Pr2 Tl1 Ag1\n1.0\n0.000001 3.847270 3.847269\n3.847271 0.000001 3.847268\n3.847270 3.847268 0.000003\nPr Tl Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500001 0.500001 Pr\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pr-Tl",
"density": 8.661575470440239,
"density_atomic": 0.03512145550256648,
"volume": 113.89049635792294,
"volume_molar": 17.146615007341982,
"formula_full": "Pr2 Tl1 Ag1",
"formula_reduced": "Pr2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.53001739,
"spacegroup": 225
},
{
"id": "jvasp-109126",
"created_at": "2022-09-04T14:38:12.813495Z",
"updated_at": "2022-09-04T14:38:12.813522Z",
"structure_string": "Zn1 Cd1 Se2\n1.0\n4.035668 0.008968 6.128523\n1.843280 3.590127 6.128523\n0.014648 0.008968 7.337928\nZn Cd Se\n1 1 2\ndirect\n0.499463 0.499464 0.499462 Zn\n0.001880 0.001880 0.001880 Cd\n0.130213 0.130213 0.130212 Se\n0.618444 0.618446 0.618443 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Zn",
"density": 5.2718199147826255,
"density_atomic": 0.037824080060956076,
"volume": 105.75273723918012,
"volume_molar": 15.921446735240911,
"formula_full": "Zn1 Cd1 Se2",
"formula_reduced": "ZnCdSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-37047",
"created_at": "2022-09-04T14:38:07.452778Z",
"updated_at": "2022-09-04T14:38:07.452807Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n3.006863 3.006863 -0.000000\n3.006863 0.000000 -3.006863\n0.000000 3.006863 -3.006863\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 5.459370393999089,
"density_atomic": 0.07356802082955614,
"volume": 54.37145046034716,
"volume_molar": 8.185813199939435,
"formula_full": "Ti2 Mn1 Si1",
"formula_reduced": "Ti2MnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.669318127011494,
"spacegroup": 216
},
{
"id": "jvasp-41123",
"created_at": "2022-09-04T14:38:04.958082Z",
"updated_at": "2022-09-04T14:38:04.958116Z",
"structure_string": "Nd2 Cu1 Ir1\n1.0\n-0.000000 3.556636 3.556636\n3.556636 -0.000000 3.556636\n3.556636 3.556636 -0.000000\nNd Cu Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Cu\n0.750002 0.750002 0.750002 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ir"
],
"chemical_system": "Cu-Ir-Nd",
"density": 10.043772925110645,
"density_atomic": 0.04445409112950228,
"volume": 89.98046970181719,
"volume_molar": 13.546876354881459,
"formula_full": "Nd2 Cu1 Ir1",
"formula_reduced": "Nd2CuIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7385886375,
"spacegroup": 225
},
{
"id": "jvasp-76891",
"created_at": "2022-09-04T14:38:04.947432Z",
"updated_at": "2022-09-04T14:38:04.947457Z",
"structure_string": "Y2 In1 Cu1\n1.0\n-9.939707 -0.008301 -5.752250\n-10.037603 -0.062627 5.923302\n-6.625234 9.589003 0.012910\nY In Cu\n2 1 1\ndirect\n0.759457 0.000075 0.000075 Y\n0.240543 0.999925 0.999925 Y\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Cu"
],
"chemical_system": "Cu-In-Y",
"density": 0.5276327941472895,
"density_atomic": 0.003568439909904185,
"volume": 1120.9380292205628,
"volume_molar": 168.76116488008057,
"formula_full": "Y2 In1 Cu1",
"formula_reduced": "Y2InCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.78664283,
"spacegroup": 71
},
{
"id": "jvasp-109991",
"created_at": "2022-09-04T14:38:04.942282Z",
"updated_at": "2022-09-04T14:38:04.942305Z",
"structure_string": "Li1 Mn1 Ir2\n1.0\n3.601312 -0.000000 2.079218\n1.200437 3.395349 2.079218\n-0.000000 -0.000000 4.158437\nLi Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Ir"
],
"chemical_system": "Ir-Li-Mn",
"density": 14.575161736264347,
"density_atomic": 0.07866557035623514,
"volume": 50.84816625476808,
"volume_molar": 7.655370364352385,
"formula_full": "Li1 Mn1 Ir2",
"formula_reduced": "LiMnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.481229860344828,
"spacegroup": 225
},
{
"id": "jvasp-46395",
"created_at": "2022-09-04T14:38:12.990234Z",
"updated_at": "2022-09-04T14:38:12.990257Z",
"structure_string": "Ni1 Hg1 O2\n1.0\n1.457553 0.841518 7.083005\n-1.457553 0.841518 7.083005\n0.000000 -1.683038 7.083005\nNi Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Hg\n0.122384 0.122384 0.122384 O\n0.877617 0.877617 0.877616 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Hg",
"O"
],
"chemical_system": "Hg-Ni-O",
"density": 9.27910598311482,
"density_atomic": 0.07673669366214149,
"volume": 52.12630110975741,
"volume_molar": 7.847798064527582,
"formula_full": "Ni1 Hg1 O2",
"formula_reduced": "NiHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8851784999999998,
"spacegroup": 166
},
{
"id": "jvasp-10774",
"created_at": "2022-09-04T14:38:12.719865Z",
"updated_at": "2022-09-04T14:38:12.719893Z",
"structure_string": "Na4 Pr4 Te8\n1.0\n7.907556 -0.000000 4.565429\n2.635852 7.455315 4.565429\n0.000000 0.000000 9.130859\nNa Pr Te\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Pr\n0.500000 -0.000000 0.500000 Pr\n-0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.748244 0.748243 0.748244 Te\n0.251757 0.251756 0.251757 Te\n0.251757 0.251756 0.744730 Te\n0.251757 0.744729 0.251757 Te\n0.255271 0.748243 0.748244 Te\n0.748244 0.748243 0.255271 Te\n0.748244 0.255270 0.748244 Te\n0.744730 0.251756 0.251757 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Pr",
"Te"
],
"chemical_system": "Na-Pr-Te",
"density": 5.171352771981501,
"density_atomic": 0.02972350855965978,
"volume": 538.294460355697,
"volume_molar": 20.26053131618904,
"formula_full": "Na4 Pr4 Te8",
"formula_reduced": "NaPrTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3538185958333334,
"spacegroup": 227
},
{
"id": "jvasp-18286",
"created_at": "2022-09-04T14:38:12.699248Z",
"updated_at": "2022-09-04T14:38:12.699269Z",
"structure_string": "Ti1 In1 Cu2\n1.0\n3.830303 -0.000000 2.211427\n1.276768 3.611245 2.211427\n-0.000000 -0.000000 4.422853\nTi In Cu\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.749999 0.750001 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Cu"
],
"chemical_system": "Cu-In-Ti",
"density": 7.8653928679136405,
"density_atomic": 0.06538338515430125,
"volume": 61.17762166275448,
"volume_molar": 9.21050622537832,
"formula_full": "Ti1 In1 Cu2",
"formula_reduced": "TiInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5944723008333334,
"spacegroup": 225
},
{
"id": "jvasp-38200",
"created_at": "2022-09-04T14:38:12.766102Z",
"updated_at": "2022-09-04T14:38:12.766127Z",
"structure_string": "Nd1 Tl1 Ag2\n1.0\n0.000002 3.586105 3.586105\n3.586108 0.000001 3.586107\n3.586109 3.586107 -0.000000\nNd Tl Ag\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Nd\n0.750000 0.750000 0.750000 Tl\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Ag"
],
"chemical_system": "Ag-Nd-Tl",
"density": 10.160314381424099,
"density_atomic": 0.04336711253930458,
"volume": 92.23579264989596,
"volume_molar": 13.886423161196172,
"formula_full": "Nd1 Tl1 Ag2",
"formula_reduced": "NdTlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.044669655,
"spacegroup": 225
},
{
"id": "jvasp-109909",
"created_at": "2022-09-04T14:38:11.770351Z",
"updated_at": "2022-09-04T14:38:11.770371Z",
"structure_string": "Hg1 Pt1 O2\n1.0\n3.183365 -0.020604 -0.242052\n1.591225 2.757216 -0.242052\n-0.616678 -0.353456 7.573776\nHg Pt O\n1 1 2\ndirect\n0.499998 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n0.634665 0.634669 0.873302 O\n0.365330 0.365333 0.126699 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Pt",
"O"
],
"chemical_system": "Hg-O-Pt",
"density": 10.731788044187601,
"density_atomic": 0.060446526625885025,
"volume": 66.1741910293168,
"volume_molar": 9.962757326441878,
"formula_full": "Hg1 Pt1 O2",
"formula_reduced": "HgPtO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.34114575,
"spacegroup": 12
}
]
}