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=-nsites&page=893",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=891",
"results": [
{
"id": "jvasp-86270",
"created_at": "2022-09-04T14:35:57.099342Z",
"updated_at": "2022-09-04T14:35:57.099368Z",
"structure_string": "Ce6 Sb6 Au4\n1.0\n4.634376 -0.000000 0.000000\n-2.317188 4.013487 0.000000\n0.000000 -0.000000 23.728182\nCe Sb Au\n6 6 4\ndirect\n0.666668 0.333333 0.925673 Ce\n0.333333 0.666667 0.074327 Ce\n0.333333 0.666667 0.425673 Ce\n0.666668 0.333333 0.574327 Ce\n0.333333 0.666667 0.250000 Ce\n0.666668 0.333333 0.750000 Ce\n0.333333 0.666667 0.651523 Sb\n0.000000 0.000000 0.500000 Sb\n0.666668 0.333333 0.348477 Sb\n0.333333 0.666667 0.848477 Sb\n0.666668 0.333333 0.151523 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.812429 Au\n0.000000 0.000000 0.187571 Au\n0.000000 0.000000 0.312429 Au\n0.000000 0.000000 0.687571 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Au"
],
"chemical_system": "Au-Ce-Sb",
"density": 8.876095312078457,
"density_atomic": 0.036252869759759644,
"volume": 441.3443709705943,
"volume_molar": 16.611487035116106,
"formula_full": "Ce6 Sb6 Au4",
"formula_reduced": "Ce3Sb3Au2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.6698349924999998,
"spacegroup": 194
},
{
"id": "jvasp-43964",
"created_at": "2022-09-04T14:35:51.070207Z",
"updated_at": "2022-09-04T14:35:51.070234Z",
"structure_string": "Na6 Fe2 O8\n1.0\n0.000000 5.200948 -0.000920\n6.376452 0.000000 0.000000\n0.000000 -1.930603 -5.357697\nNa Fe O\n6 2 8\ndirect\n0.250000 0.619879 0.000000 Na\n0.750000 0.380120 0.000000 Na\n0.250000 0.884963 0.500000 Na\n0.250000 0.373296 0.500000 Na\n0.750001 0.626704 0.500000 Na\n0.750001 0.115037 0.500000 Na\n0.250000 0.127746 0.000000 Fe\n0.750000 0.872254 0.000000 Fe\n0.050221 0.321701 0.783474 O\n0.493123 0.097003 0.812520 O\n0.550221 0.678299 0.783474 O\n0.993124 0.902996 0.812520 O\n0.449780 0.321701 0.216527 O\n0.506878 0.902996 0.187481 O\n0.949780 0.678299 0.216527 O\n0.006878 0.097003 0.187481 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.5289136927870826,
"density_atomic": 0.09004353692864761,
"volume": 177.69182048766848,
"volume_molar": 6.688032217983697,
"formula_full": "Na6 Fe2 O8",
"formula_reduced": "Na3FeO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3921858125,
"spacegroup": 13
},
{
"id": "jvasp-85525",
"created_at": "2022-09-04T14:36:01.058579Z",
"updated_at": "2022-09-04T14:36:01.058603Z",
"structure_string": "Ge8 Te8\n1.0\n4.072399 0.000000 0.000000\n0.000000 13.388502 0.000000\n0.000000 0.000000 10.785060\nGe Te\n8 8\ndirect\n0.500141 0.743177 0.894222 Ge\n0.499860 0.256823 0.105778 Ge\n0.000141 0.743177 0.105778 Ge\n0.000141 0.756823 0.605778 Ge\n-0.000141 0.256823 0.894222 Ge\n0.499860 0.243177 0.605778 Ge\n0.500141 0.756823 0.394222 Ge\n-0.000141 0.243177 0.394222 Ge\n0.499881 0.375277 0.327429 Te\n0.000120 0.624722 0.327429 Te\n0.500120 0.875277 0.172571 Te\n-0.000120 0.124723 0.172571 Te\n0.500120 0.624722 0.672571 Te\n-0.000120 0.375277 0.672571 Te\n0.000120 0.875277 0.827429 Te\n0.499881 0.124723 0.827429 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 4.523608855594996,
"density_atomic": 0.027209158291040515,
"volume": 588.0373008550033,
"volume_molar": 22.13277123674561,
"formula_full": "Ge8 Te8",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5989818583333335,
"spacegroup": 72
},
{
"id": "jvasp-42559",
"created_at": "2022-09-04T14:36:01.956204Z",
"updated_at": "2022-09-04T14:36:01.956233Z",
"structure_string": "Na8 Cr2 O6\n1.0\n0.000000 5.787632 0.000000\n-5.375043 2.893816 0.198074\n-3.555630 0.000000 7.889811\nNa Cr O\n8 2 6\ndirect\n0.929592 0.788020 0.954493 Na\n0.282389 0.788020 0.454493 Na\n0.854783 0.604532 0.627667 Na\n0.487314 0.392217 0.850152 Na\n0.540687 0.604532 0.127667 Na\n0.120469 0.392217 0.350152 Na\n0.747350 0.224665 0.530326 Na\n0.027985 0.224665 0.030326 Na\n0.333333 0.038366 0.739590 Cr\n0.628301 0.038366 0.239590 Cr\n0.637038 0.696160 0.846024 O\n0.666801 0.696160 0.346024 O\n0.333303 0.353547 0.610720 O\n0.013935 0.117372 0.793394 O\n0.313151 0.353547 0.110720 O\n0.868694 0.117372 0.293394 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 2.641182180753842,
"density_atomic": 0.0662893088288064,
"volume": 241.36622153234924,
"volume_molar": 9.084633504857187,
"formula_full": "Na8 Cr2 O6",
"formula_reduced": "Na4CrO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1476317375,
"spacegroup": 9
},
{
"id": "jvasp-48281",
"created_at": "2022-09-04T14:36:01.003487Z",
"updated_at": "2022-09-04T14:36:01.003508Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.847260 -0.001012\n6.539081 0.000000 0.000000\n0.000000 -0.001169 -5.215879\nLi Cr Si O\n4 2 2 8\ndirect\n0.993316 0.247711 0.671663 Li\n0.493318 0.252288 0.328334 Li\n0.493318 0.747711 0.328334 Li\n0.993316 0.752288 0.671663 Li\n0.007757 0.000000 0.204800 Cr\n0.507754 0.500000 0.795199 Cr\n0.480162 0.000000 0.835185 Si\n0.980164 0.500000 0.164812 Si\n0.575207 0.000000 0.142596 O\n0.139680 0.000000 0.822304 O\n0.591277 0.209238 0.691055 O\n0.091280 0.290762 0.308945 O\n0.639681 0.500000 0.177695 O\n0.075204 0.500000 0.857403 O\n0.091280 0.709238 0.308945 O\n0.591277 0.790761 0.691055 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.1731379774525035,
"density_atomic": 0.09677861934563362,
"volume": 165.32577245039894,
"volume_molar": 6.222594205950204,
"formula_full": "Li4 Cr2 Si2 O8",
"formula_reduced": "Li2CrSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4684925,
"spacegroup": 31
},
{
"id": "jvasp-53775",
"created_at": "2022-09-04T14:35:57.253177Z",
"updated_at": "2022-09-04T14:35:57.253205Z",
"structure_string": "Mg4 Co2 H10\n1.0\n4.436968 0.000000 0.000000\n0.000000 4.436968 -0.000000\n0.000000 -0.000000 6.552203\nMg Co H\n4 2 10\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.744252 Co\n0.000000 0.500000 0.255747 Co\n0.500000 0.000000 0.503825 H\n0.000000 0.500000 0.496174 H\n0.743077 0.243077 0.774269 H\n0.256923 0.243077 0.774269 H\n0.743077 0.756923 0.774269 H\n0.256923 0.756923 0.774269 H\n0.756923 0.256923 0.225731 H\n0.243077 0.256923 0.225731 H\n0.756923 0.743077 0.225731 H\n0.243077 0.743077 0.225731 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"H"
],
"chemical_system": "Co-H-Mg",
"density": 2.89862189180552,
"density_atomic": 0.12403951096480666,
"volume": 128.99115673343496,
"volume_molar": 4.855018141524795,
"formula_full": "Mg4 Co2 H10",
"formula_reduced": "Mg2CoH5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0669411250000005,
"spacegroup": 129
},
{
"id": "jvasp-86222",
"created_at": "2022-09-04T14:36:02.102396Z",
"updated_at": "2022-09-04T14:36:02.102413Z",
"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.086247289993947,
"density_atomic": 0.024383457131470655,
"volume": 656.1825877984096,
"volume_molar": 24.69764942489426,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08480623125,
"spacegroup": 14
},
{
"id": "jvasp-21492",
"created_at": "2022-09-04T14:38:16.495504Z",
"updated_at": "2022-09-04T14:38:16.495524Z",
"structure_string": "Sr2 Pd6 O8\n1.0\n5.885451 0.000000 -0.000000\n-0.000000 5.885451 0.000000\n-0.000000 -0.000000 5.885451\nSr Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"O"
],
"chemical_system": "O-Pd-Sr",
"density": 7.670927524067942,
"density_atomic": 0.07848392928550363,
"volume": 203.86339146956138,
"volume_molar": 7.6730877452542625,
"formula_full": "Sr2 Pd6 O8",
"formula_reduced": "SrPd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.88178217625,
"spacegroup": 223
},
{
"id": "jvasp-57662",
"created_at": "2022-09-04T14:38:29.355293Z",
"updated_at": "2022-09-04T14:38:29.355316Z",
"structure_string": "Tl10 Te6\n1.0\n7.797283 -0.000000 -4.501179\n-2.598419 7.351587 -4.501179\n0.064594 0.091341 9.116007\nTl Te\n10 6\ndirect\n0.194359 0.991574 0.685933 Tl\n0.805640 0.008426 0.314067 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.491573 0.694359 0.685933 Tl\n0.991573 0.491574 0.685933 Tl\n0.694359 0.194359 0.685933 Tl\n0.305641 0.805641 0.314067 Tl\n0.008426 0.508426 0.314067 Tl\n0.508426 0.305641 0.314067 Tl\n0.157419 0.342581 -0.000000 Te\n0.657419 0.157419 -0.000000 Te\n0.342581 0.842581 -0.000000 Te\n0.842581 0.657419 -0.000000 Te\n0.750000 0.750000 0.500000 Te\n0.250000 0.250000 0.500000 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Te"
],
"chemical_system": "Te-Tl",
"density": 8.819469579702224,
"density_atomic": 0.030247861262174533,
"volume": 528.9630186187171,
"volume_molar": 19.909310968477595,
"formula_full": "Tl10 Te6",
"formula_reduced": "Tl5Te3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-12330",
"created_at": "2022-09-04T14:38:16.467696Z",
"updated_at": "2022-09-04T14:38:16.467744Z",
"structure_string": "Mn4 Ge4 N8\n1.0\n5.312905 0.000000 0.000000\n0.000000 5.554959 0.000000\n0.000000 0.000000 6.681230\nMn Ge N\n4 4 8\ndirect\n0.998426 0.581239 0.875757 Mn\n0.498426 0.918761 0.375757 Mn\n0.498426 0.418761 0.124243 Mn\n0.998426 0.081239 0.624243 Mn\n0.000825 0.072430 0.125481 Ge\n0.500825 0.927570 0.874519 Ge\n0.500825 0.427570 0.625481 Ge\n0.000825 0.572430 0.374519 Ge\n0.397218 0.601897 0.855591 N\n0.897219 0.398103 0.144409 N\n0.897219 0.898103 0.355591 N\n0.397218 0.101897 0.644409 N\n0.356532 0.561760 0.393439 N\n0.356532 0.061760 0.106561 N\n0.856533 0.938240 0.893439 N\n0.856533 0.438240 0.606561 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"N"
],
"chemical_system": "Ge-Mn-N",
"density": 5.241136519768572,
"density_atomic": 0.08114292370079941,
"volume": 197.18293685099704,
"volume_molar": 7.421646257418096,
"formula_full": "Mn4 Ge4 N8",
"formula_reduced": "MnGeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.811119922844827,
"spacegroup": 33
},
{
"id": "jvasp-12750",
"created_at": "2022-09-04T14:38:14.160115Z",
"updated_at": "2022-09-04T14:38:14.160137Z",
"structure_string": "Na6 Bi2 O8\n1.0\n0.000000 5.733645 -0.018537\n6.747016 0.000000 0.000000\n0.000000 -2.010637 -5.531313\nNa Bi O\n6 2 8\ndirect\n0.250000 0.619076 0.000000 Na\n0.750000 0.602835 0.500000 Na\n0.250000 0.869738 0.500000 Na\n0.750000 0.130262 0.500000 Na\n0.750001 0.380924 0.000000 Na\n0.250000 0.397166 0.500000 Na\n0.250000 0.138319 0.000000 Bi\n0.750001 0.861682 0.000000 Bi\n0.027983 0.350114 0.762105 O\n0.472017 0.350114 0.237894 O\n0.972017 0.649887 0.237895 O\n0.527984 0.649887 0.762106 O\n0.501091 0.102895 0.786867 O\n-0.001091 0.102895 0.213132 O\n0.001090 0.897106 0.786867 O\n0.498909 0.897106 0.213133 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O",
"density": 5.300995328276637,
"density_atomic": 0.07468598655779689,
"volume": 214.2302825124785,
"volume_molar": 8.063280727154451,
"formula_full": "Na6 Bi2 O8",
"formula_reduced": "Na3BiO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0320794125,
"spacegroup": 13
},
{
"id": "jvasp-24860",
"created_at": "2022-09-04T14:38:29.051373Z",
"updated_at": "2022-09-04T14:38:29.051400Z",
"structure_string": "Ba2 Al2 B2 O6 F4\n1.0\n2.460211 -4.261211 -0.000000\n2.460211 4.261211 0.000000\n0.000000 -0.000000 9.413785\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.749999 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.500000 B\n0.944060 0.327132 0.500000 O\n0.055937 0.383069 0.000000 O\n0.383072 0.055940 0.500000 O\n0.327132 0.944062 0.000000 O\n0.616930 0.672868 0.000000 O\n0.672867 0.616928 0.500000 O\n0.666667 0.333333 0.802152 F\n0.333333 0.666667 0.697848 F\n0.333333 0.666667 0.302151 F\n0.666667 0.333333 0.197848 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Al",
"B",
"O",
"F"
],
"chemical_system": "Al-B-Ba-F-O",
"density": 4.393498586142841,
"density_atomic": 0.08106256026069045,
"volume": 197.37841919309398,
"volume_molar": 7.42900389604436,
"formula_full": "Ba2 Al2 B2 O6 F4",
"formula_reduced": "BaAlBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4456453022916669,
"spacegroup": 190
}
]
}