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=4201",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4199",
"results": [
{
"id": "jvasp-107593",
"created_at": "2022-09-04T14:37:09.244801Z",
"updated_at": "2022-09-04T14:37:09.244823Z",
"structure_string": "Fe2 O3 F1\n1.0\n4.375077 0.031332 0.000000\n-0.296214 4.365150 0.000000\n-0.000000 -0.000000 2.856781\nFe O F\n2 3 1\ndirect\n0.976619 0.023381 -0.000000 Fe\n0.520951 0.479049 0.500000 Fe\n0.801439 0.198561 0.500000 O\n0.305234 0.300766 -0.000000 O\n0.699235 0.694766 -0.000000 O\n0.196525 0.803476 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.4358600421474055,
"density_atomic": 0.10992043192004865,
"volume": 54.58493835217223,
"volume_molar": 5.4786363688783934,
"formula_full": "Fe2 O3 F1",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.311700297083333,
"spacegroup": 38
},
{
"id": "jvasp-107592",
"created_at": "2022-09-04T14:37:01.777221Z",
"updated_at": "2022-09-04T14:37:01.777229Z",
"structure_string": "Zn2 Co2 O6\n1.0\n4.382201 -0.009063 3.105930\n1.600701 4.079402 3.105930\n-0.013321 -0.009063 5.371247\nZn Co O\n2 2 6\ndirect\n0.368438 0.368439 0.368438 Zn\n0.631561 0.631562 0.631562 Zn\n0.160761 0.160762 0.160762 Co\n0.839238 0.839239 0.839239 Co\n0.437412 0.787811 0.044829 O\n0.787811 0.044829 0.437412 O\n0.044828 0.437413 0.787811 O\n0.955171 0.562588 0.212189 O\n0.212189 0.955172 0.562588 O\n0.562587 0.212190 0.955172 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 5.94063807468621,
"density_atomic": 0.10379272573426258,
"volume": 96.34586556289794,
"volume_molar": 5.802083640638079,
"formula_full": "Zn2 Co2 O6",
"formula_reduced": "ZnCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6506563599999995,
"spacegroup": 148
},
{
"id": "jvasp-107590",
"created_at": "2022-09-04T14:37:01.335530Z",
"updated_at": "2022-09-04T14:37:01.335556Z",
"structure_string": "Fe2 O2 F2\n1.0\n4.799509 -0.063739 0.000000\n-0.605481 4.761590 0.000000\n-0.000000 -0.000000 2.870747\nFe O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.304729 0.304729 -0.000000 O\n0.695271 0.695271 -0.000000 O\n0.198781 0.801219 0.500001 F\n0.801219 0.198781 0.500001 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.606381605433358,
"density_atomic": 0.09160971740614753,
"volume": 65.49523532966784,
"volume_molar": 6.573692104409745,
"formula_full": "Fe2 O2 F2",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1104230941666666,
"spacegroup": 65
},
{
"id": "jvasp-107589",
"created_at": "2022-09-04T14:38:47.144978Z",
"updated_at": "2022-09-04T14:38:47.144997Z",
"structure_string": "Sr2 Mn3 Bi2 O2\n1.0\n4.111699 0.105717 -10.012992\n-0.062475 4.112584 -10.012992\n-0.101480 -0.105717 10.823852\nSr Mn Bi O\n2 3 2 2\ndirect\n0.579772 0.579772 -0.000000 Sr\n0.420227 0.420228 -0.000000 Sr\n0.000000 0.000000 0.000000 Mn\n0.249999 0.749999 0.499998 Mn\n0.750000 0.250000 0.500000 Mn\n0.835116 0.835117 -0.000001 Bi\n0.164883 0.164883 -0.000000 Bi\n-0.000001 0.499999 0.499999 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 7.513035899551953,
"density_atomic": 0.05154353900429791,
"volume": 174.60966347789088,
"volume_molar": 11.683599683556555,
"formula_full": "Sr2 Mn3 Bi2 O2",
"formula_reduced": "Sr2Mn3(BiO)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.277218882681992,
"spacegroup": 139
},
{
"id": "jvasp-107588",
"created_at": "2022-09-04T14:37:01.241468Z",
"updated_at": "2022-09-04T14:37:01.241493Z",
"structure_string": "W1 O2\n1.0\n2.964444 0.119791 4.195012\n1.419839 2.605060 4.195012\n0.192743 0.119791 5.133119\nW O\n1 2\ndirect\n0.499999 0.500000 0.500001 W\n0.751786 0.751787 0.751789 O\n0.248212 0.248212 0.248213 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 9.960767957034424,
"density_atomic": 0.08337492619819308,
"volume": 35.98204084605255,
"volume_molar": 7.222963826899932,
"formula_full": "W1 O2",
"formula_reduced": "WO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2544956666666667,
"spacegroup": 166
},
{
"id": "jvasp-107587",
"created_at": "2022-09-04T14:36:59.980780Z",
"updated_at": "2022-09-04T14:36:59.980795Z",
"structure_string": "Na2 Mn2 O4\n1.0\n2.870874 -0.000000 0.000000\n0.000000 4.859590 0.000000\n-0.000000 -0.000000 6.305443\nNa Mn O\n2 2 4\ndirect\n0.250001 0.249999 0.125053 Na\n0.749998 0.749999 0.874945 Na\n0.250001 0.249999 0.626162 Mn\n0.749998 0.749999 0.373839 Mn\n0.749998 0.249999 0.418499 O\n0.250001 0.749999 0.581500 O\n0.749998 0.249999 0.830372 O\n0.250001 0.749999 0.169628 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.150042833373763,
"density_atomic": 0.09094118753656487,
"volume": 87.96894143023398,
"volume_molar": 6.62201684751331,
"formula_full": "Na2 Mn2 O4",
"formula_reduced": "NaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6158358103448274,
"spacegroup": 59
},
{
"id": "jvasp-107586",
"created_at": "2022-09-04T14:37:00.607377Z",
"updated_at": "2022-09-04T14:37:00.607402Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n4.496658 0.043145 2.163736\n1.605163 4.113916 2.328645\n0.103975 -0.145170 5.528577\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500001 0.500001 Mo\n0.262838 0.892006 0.261156 F\n0.737160 0.107997 0.738846 F\n0.416114 0.736846 0.739117 F\n0.583884 0.263156 0.260886 F\n0.891819 0.584300 0.261102 F\n0.108179 0.415702 0.738900 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.4525598754876174,
"density_atomic": 0.0784387696759219,
"volume": 101.99038094366918,
"volume_molar": 7.677505377609969,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3964172556249999,
"spacegroup": 148
},
{
"id": "jvasp-107585",
"created_at": "2022-09-04T14:36:56.486987Z",
"updated_at": "2022-09-04T14:36:56.487013Z",
"structure_string": "Mn2 O2 F2\n1.0\n3.749193 0.000019 -0.000250\n-0.000045 5.602019 -0.000599\n0.000216 0.000407 3.180344\nMn O F\n2 2 2\ndirect\n0.250004 0.169066 0.760659 Mn\n0.749999 0.830939 0.260647 Mn\n0.250000 0.916114 0.200982 O\n0.750000 0.083883 0.700987 O\n0.249999 0.382625 0.288362 F\n0.749996 0.617377 0.788359 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.4715227784079,
"density_atomic": 0.08982449200637369,
"volume": 66.79692660632311,
"volume_molar": 6.704341572644448,
"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2340403412931034,
"spacegroup": 31
},
{
"id": "jvasp-107584",
"created_at": "2022-09-04T14:38:47.839413Z",
"updated_at": "2022-09-04T14:38:47.839439Z",
"structure_string": "Cr2 Co2 N4\n1.0\n2.748631 0.000062 0.000000\n-1.374261 2.380208 0.000000\n-0.000000 -0.000000 9.844597\nCr Co N\n2 2 4\ndirect\n0.333395 0.666778 0.250000 Cr\n0.666616 0.333251 0.750000 Cr\n0.000004 0.000006 0.000000 Co\n0.000004 0.000006 0.500000 Co\n0.666758 0.333515 0.125666 N\n0.333254 0.666517 0.874334 N\n0.333254 0.666517 0.625666 N\n0.666758 0.333515 0.374334 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Co",
"N"
],
"chemical_system": "Co-Cr-N",
"density": 7.164400609628847,
"density_atomic": 0.12420956408575415,
"volume": 64.40727860921248,
"volume_molar": 4.848371221915182,
"formula_full": "Cr2 Co2 N4",
"formula_reduced": "CrCoN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5511512,
"spacegroup": 194
},
{
"id": "jvasp-107583",
"created_at": "2022-09-04T14:36:58.660989Z",
"updated_at": "2022-09-04T14:36:58.661013Z",
"structure_string": "Ba2 Mn4 N4\n1.0\n4.397121 -0.000000 4.720846\n4.397122 4.397121 0.000000\n0.000000 -0.000000 9.441692\nBa Mn N\n2 4 4\ndirect\n-0.000000 0.000000 0.250000 Ba\n-0.000000 0.000000 0.750000 Ba\n0.729057 0.500000 0.635472 Mn\n0.270942 0.500000 0.364528 Mn\n0.270942 0.229057 0.864528 Mn\n0.729057 0.770942 0.135472 Mn\n0.680342 0.500000 0.159829 N\n0.319657 0.500000 0.840171 N\n0.319657 0.180343 0.340171 N\n0.680342 0.819657 0.659829 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.006876536673334,
"density_atomic": 0.054778903840769215,
"volume": 182.55202822363702,
"volume_molar": 10.99354009986235,
"formula_full": "Ba2 Mn4 N4",
"formula_reduced": "Ba(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.872807390551724,
"spacegroup": 140
},
{
"id": "jvasp-107582",
"created_at": "2022-09-04T14:36:58.583203Z",
"updated_at": "2022-09-04T14:36:58.583229Z",
"structure_string": "In4 S3 N2\n1.0\n5.127003 0.000159 4.179610\n1.383861 3.503735 0.000000\n0.004121 -0.001628 9.946959\nIn S N\n4 3 2\ndirect\n0.247628 0.876186 0.653157 In\n0.752370 0.123815 0.346844 In\n0.573856 0.713073 0.134616 In\n0.426143 0.286928 0.865385 In\n0.000000 0.000000 0.000000 S\n0.780097 0.609951 0.797048 S\n0.219902 0.390050 0.202953 S\n0.546718 0.726642 0.360790 N\n0.453281 0.273360 0.639210 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"In",
"S",
"N"
],
"chemical_system": "In-N-S",
"density": 5.424567770383159,
"density_atomic": 0.050388598516807666,
"volume": 178.61183412350618,
"volume_molar": 11.95139562770584,
"formula_full": "In4 S3 N2",
"formula_reduced": "In4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.8217740422222224,
"spacegroup": 12
},
{
"id": "jvasp-107581",
"created_at": "2022-09-04T14:36:59.088938Z",
"updated_at": "2022-09-04T14:36:59.088954Z",
"structure_string": "Sr2 Ru1 N2\n1.0\n3.732748 -0.000000 -1.101736\n-0.326747 3.717408 -1.107039\n0.004169 0.013815 6.888381\nSr Ru N\n2 1 2\ndirect\n0.142674 0.142675 0.785349 Sr\n0.857326 0.857327 0.214650 Sr\n0.500000 0.500001 0.500000 Ru\n0.644943 0.644944 0.789885 N\n0.355057 0.355057 0.210115 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ru",
"N"
],
"chemical_system": "N-Ru-Sr",
"density": 5.2824935349011515,
"density_atomic": 0.05226663418251477,
"volume": 95.66332476164487,
"volume_molar": 11.521960145684377,
"formula_full": "Sr2 Ru1 N2",
"formula_reduced": "Sr2RuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7775839239999995,
"spacegroup": 139
}
]
}