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=557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=555",
"results": [
{
"id": "jvasp-49847",
"created_at": "2022-09-04T14:36:12.375595Z",
"updated_at": "2022-09-04T14:36:12.375620Z",
"structure_string": "Zn12 N8\n1.0\n3.400632 -0.000000 0.000000\n-0.000000 5.890641 0.000000\n0.000000 0.000000 12.043658\nZn N\n12 8\ndirect\n0.749999 0.583338 0.079202 Zn\n0.250000 0.083338 0.420798 Zn\n0.250000 0.416647 0.579198 Zn\n0.250000 0.750070 0.249993 Zn\n0.250000 0.416662 0.920798 Zn\n0.250000 0.083353 0.079198 Zn\n0.250000 0.749930 0.749993 Zn\n0.749999 0.249930 0.750007 Zn\n0.749999 0.583353 0.420802 Zn\n0.749999 0.250070 0.250007 Zn\n0.749999 0.916662 0.579202 Zn\n0.749999 0.916647 0.920802 Zn\n0.250000 0.749998 0.500003 N\n0.749999 0.583391 0.250001 N\n0.749999 0.249998 -0.000003 N\n0.749999 0.916609 0.750001 N\n0.749999 0.250002 0.499997 N\n0.250000 0.083391 0.249999 N\n0.250000 0.416609 0.749999 N\n0.250000 0.750002 0.000003 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zn",
"N"
],
"chemical_system": "N-Zn",
"density": 6.173654777878727,
"density_atomic": 0.0828990183947236,
"volume": 241.2573802113074,
"volume_molar": 7.2644295151066585,
"formula_full": "Zn12 N8",
"formula_reduced": "Zn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.19281954,
"spacegroup": 194
},
{
"id": "jvasp-99149",
"created_at": "2022-09-04T14:36:20.869766Z",
"updated_at": "2022-09-04T14:36:20.869795Z",
"structure_string": "Cr4 Bi4 O12\n1.0\n5.435592 0.000000 0.000000\n-0.000000 5.612892 0.000000\n0.000000 0.000000 7.773248\nCr Bi O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.009538 0.948667 0.750000 Bi\n0.990461 0.051333 0.250000 Bi\n0.509538 0.551333 0.250000 Bi\n0.490461 0.448667 0.750000 Bi\n0.087925 0.475668 0.250000 O\n0.199845 0.203313 0.957027 O\n0.199845 0.203313 0.542973 O\n0.800155 0.796686 0.042973 O\n0.300155 0.703313 0.542973 O\n0.800155 0.796686 0.457027 O\n0.699844 0.296687 0.457027 O\n0.699844 0.296687 0.042973 O\n0.587925 0.024332 0.750000 O\n0.912075 0.524332 0.750000 O\n0.412075 0.975668 0.250000 O\n0.300155 0.703313 0.957027 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.65358268254148,
"density_atomic": 0.08433229809847273,
"volume": 237.15706142202478,
"volume_molar": 7.140966030556995,
"formula_full": "Cr4 Bi4 O12",
"formula_reduced": "CrBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4027704399999994,
"spacegroup": 62
},
{
"id": "jvasp-43493",
"created_at": "2022-09-04T14:36:34.689323Z",
"updated_at": "2022-09-04T14:36:34.689352Z",
"structure_string": "Sm4 Tm4 O12\n1.0\n5.697735 -0.000000 0.000000\n0.000000 5.973922 0.000000\n0.000000 0.000000 8.336010\nSm Tm O\n4 4 12\ndirect\n0.980514 0.056821 0.250000 Sm\n0.480514 0.443178 0.750000 Sm\n0.519487 0.556821 0.250000 Sm\n0.019487 0.943178 0.750000 Sm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.811052 0.807615 0.072974 O\n0.311051 0.692385 0.572974 O\n0.311051 0.692385 0.927026 O\n0.862007 0.565438 0.750000 O\n0.137994 0.434562 0.250000 O\n0.188949 0.192385 0.572974 O\n0.688950 0.307615 0.427026 O\n0.188949 0.192385 0.927026 O\n0.811052 0.807615 0.427026 O\n0.637994 0.065438 0.750000 O\n0.688950 0.307615 0.072974 O\n0.362007 0.934562 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"O"
],
"chemical_system": "O-Sm-Tm",
"density": 8.598070888346335,
"density_atomic": 0.0704871537802449,
"volume": 283.73964513240577,
"volume_molar": 8.543600410898982,
"formula_full": "Sm4 Tm4 O12",
"formula_reduced": "SmTmO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.398492725,
"spacegroup": 62
},
{
"id": "jvasp-99020",
"created_at": "2022-09-04T14:36:20.247966Z",
"updated_at": "2022-09-04T14:36:20.247990Z",
"structure_string": "Pr4 Mn4 O12\n1.0\n5.506616 -0.000000 0.000000\n0.000000 5.584365 0.000000\n0.000000 0.000000 7.806052\nPr Mn O\n4 4 12\ndirect\n0.990362 0.043808 0.250000 Pr\n0.509640 0.543807 0.250000 Pr\n0.009639 0.956192 0.750000 Pr\n0.490361 0.456192 0.750000 Pr\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.922779 0.515903 0.750000 O\n0.422779 0.984096 0.250000 O\n0.714189 0.287533 0.458400 O\n0.714189 0.287533 0.041600 O\n0.214189 0.212467 0.958400 O\n0.785812 0.787533 0.458400 O\n0.285811 0.712466 0.541600 O\n0.285811 0.712466 0.958400 O\n0.785812 0.787533 0.041600 O\n0.214189 0.212467 0.541600 O\n0.077222 0.484096 0.250000 O\n0.577222 0.015903 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr",
"density": 6.747314394966349,
"density_atomic": 0.08331821687088699,
"volume": 240.0435433104953,
"volume_molar": 7.227880031724795,
"formula_full": "Pr4 Mn4 O12",
"formula_reduced": "PrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.244091518275862,
"spacegroup": 62
},
{
"id": "jvasp-88645",
"created_at": "2022-09-04T14:36:16.423631Z",
"updated_at": "2022-09-04T14:36:16.423652Z",
"structure_string": "Er4 V4 O12\n1.0\n5.221251 -0.000000 0.000000\n-0.000000 5.616129 0.000000\n0.000000 0.000000 7.570415\nEr V O\n4 4 12\ndirect\n0.521230 0.572736 0.250000 Er\n0.978770 0.072736 0.250000 Er\n0.478770 0.427264 0.750000 Er\n0.021230 0.927264 0.750000 Er\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.881483 0.544151 0.750000 O\n0.381483 0.955849 0.250000 O\n0.688420 0.305347 0.441100 O\n0.688420 0.305347 0.058901 O\n0.188420 0.194653 0.941100 O\n0.811580 0.805347 0.441100 O\n0.311580 0.694653 0.558901 O\n0.311580 0.694653 0.941100 O\n0.811580 0.805347 0.058901 O\n0.188420 0.194653 0.558901 O\n0.118517 0.455849 0.250000 O\n0.618517 0.044151 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"V",
"O"
],
"chemical_system": "Er-O-V",
"density": 7.964961578669162,
"density_atomic": 0.09009457933362104,
"volume": 221.98893815730932,
"volume_molar": 6.68424316373126,
"formula_full": "Er4 V4 O12",
"formula_reduced": "ErVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.11797494,
"spacegroup": 62
},
{
"id": "jvasp-48553",
"created_at": "2022-09-04T14:36:37.365090Z",
"updated_at": "2022-09-04T14:36:37.365127Z",
"structure_string": "V4 O4 F12\n1.0\n4.934205 0.000000 0.000000\n0.000000 7.194157 0.000000\n0.000000 0.000000 8.288797\nV O F\n4 4 12\ndirect\n0.970130 -0.020343 0.042301 V\n0.970130 0.520343 0.542301 V\n0.029869 0.479658 0.042301 V\n0.029869 0.020343 0.542301 V\n0.152663 0.049558 0.718757 O\n0.152663 0.450442 0.218756 O\n0.847336 0.549558 0.718757 O\n0.847336 0.950442 0.218756 O\n0.137909 0.739321 0.008278 F\n0.137909 0.760679 0.508278 F\n0.700429 0.568952 0.064551 F\n0.721446 0.582336 0.400778 F\n0.278553 0.417665 0.900778 F\n0.299570 0.068952 0.064551 F\n0.862090 0.239321 0.008278 F\n0.862090 0.260679 0.508278 F\n0.700429 0.931049 0.564551 F\n0.278553 0.082336 0.400778 F\n0.299570 0.431049 0.564551 F\n0.721446 0.917665 0.900778 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.797810812972232,
"density_atomic": 0.0679737753418694,
"volume": 294.23111927226915,
"volume_molar": 8.85950608114977,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8109637094999999,
"spacegroup": 29
},
{
"id": "jvasp-48713",
"created_at": "2022-09-04T14:36:12.009741Z",
"updated_at": "2022-09-04T14:36:12.009753Z",
"structure_string": "V4 O4 F12\n1.0\n4.600127 0.000000 0.000000\n0.000000 4.845647 0.000000\n0.000000 0.000000 12.603533\nV O F\n4 4 12\ndirect\n0.500000 0.000000 0.116902 V\n0.000000 0.000000 0.920675 V\n0.500000 0.500000 0.616902 V\n0.000000 0.500000 0.420675 V\n0.753750 0.147945 0.039253 O\n0.753750 0.352055 0.539253 O\n0.246250 0.647945 0.539253 O\n0.246250 0.852056 0.039253 O\n0.779392 0.702771 0.937911 F\n0.779392 0.797229 0.437911 F\n0.683869 0.747189 0.691308 F\n0.221830 0.669338 0.328960 F\n0.778171 0.330663 0.328960 F\n0.316131 0.247189 0.191308 F\n0.220609 0.202771 0.437911 F\n0.220609 0.297229 0.937911 F\n0.683869 0.752812 0.191308 F\n0.778171 0.169338 0.828960 F\n0.316131 0.252812 0.691308 F\n0.221830 0.830663 0.828960 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.9301715707944163,
"density_atomic": 0.07118952544711928,
"volume": 280.9402067844422,
"volume_molar": 8.459307351997088,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8157697094999998,
"spacegroup": 30
},
{
"id": "jvasp-88892",
"created_at": "2022-09-04T14:36:12.358144Z",
"updated_at": "2022-09-04T14:36:12.358173Z",
"structure_string": "Hf12 Al8\n1.0\n6.932613 0.000000 0.000000\n0.000000 7.537931 0.000000\n0.000000 -0.000000 7.537931\nHf Al\n12 8\ndirect\n0.500000 0.150970 0.849030 Hf\n0.750000 0.000000 0.500000 Hf\n0.250000 0.000000 0.500000 Hf\n0.000000 0.792291 0.207709 Hf\n0.500000 0.292291 0.292291 Hf\n0.500000 0.707709 0.707709 Hf\n0.000000 0.207709 0.792291 Hf\n0.000000 0.650970 0.650970 Hf\n0.500000 0.849030 0.150970 Hf\n0.750000 0.500000 0.000000 Hf\n0.000000 0.349030 0.349030 Hf\n0.250000 0.500000 0.000000 Hf\n0.795344 0.878389 0.878389 Al\n0.795344 0.121611 0.121611 Al\n0.295344 0.378389 0.621611 Al\n0.295344 0.621611 0.378389 Al\n0.204656 0.878389 0.878389 Al\n0.704656 0.621611 0.378389 Al\n0.704656 0.378389 0.621611 Al\n0.204656 0.121611 0.121611 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 9.938991509902431,
"density_atomic": 0.05077252042766903,
"volume": 393.9138697771007,
"volume_molar": 11.861023855570052,
"formula_full": "Hf12 Al8",
"formula_reduced": "Hf3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.15867892,
"spacegroup": 136
},
{
"id": "jvasp-99367",
"created_at": "2022-09-04T14:36:20.129313Z",
"updated_at": "2022-09-04T14:36:20.129324Z",
"structure_string": "La4 Mg2 Ti2 O12\n1.0\n5.576464 0.000000 -0.006718\n0.000000 5.616638 0.000000\n-0.001021 0.000000 7.892708\nLa Mg Ti O\n4 2 2 12\ndirect\n0.993156 0.035550 0.249120 La\n0.006843 0.964451 0.750880 La\n0.493157 0.464450 0.749120 La\n0.506843 0.535550 0.250880 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.720212 0.293277 0.458886 O\n0.779787 0.793277 0.041113 O\n0.920912 0.518425 0.743575 O\n0.206129 0.218640 0.542972 O\n0.293870 0.718640 0.957029 O\n0.793870 0.781361 0.457028 O\n0.706129 0.281360 0.042971 O\n0.420913 0.981575 0.243574 O\n0.079087 0.481575 0.256426 O\n0.579087 0.018425 0.756426 O\n0.220213 0.206723 0.958887 O\n0.279787 0.706723 0.541114 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Ti",
"density": 5.991458129385323,
"density_atomic": 0.08090375716792995,
"volume": 247.20730779519286,
"volume_molar": 7.4435860222164845,
"formula_full": "La4 Mg2 Ti2 O12",
"formula_reduced": "La2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.186122838333333,
"spacegroup": 14
},
{
"id": "jvasp-19406",
"created_at": "2022-09-04T14:36:37.483464Z",
"updated_at": "2022-09-04T14:36:37.483493Z",
"structure_string": "Ca4 Ta2 Ag2 O12\n1.0\n0.000000 5.918131 0.079314\n7.566049 0.000000 0.000000\n0.000000 -1.237581 -5.873872\nCa Ta Ag O\n4 2 2 12\ndirect\n0.972774 0.750000 0.930153 Ca\n0.464485 0.750000 0.448345 Ca\n0.535515 0.250000 0.551655 Ca\n0.027226 0.250000 0.069847 Ca\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.830417 0.953451 0.171900 O\n0.387845 0.750000 0.056526 O\n0.169583 0.046549 0.828100 O\n0.732990 0.949727 0.633823 O\n0.267010 0.449727 0.366177 O\n0.732990 0.550274 0.633823 O\n0.267010 0.050273 0.366177 O\n0.830417 0.546549 0.171900 O\n0.612155 0.250000 0.943475 O\n0.169583 0.453451 0.828100 O\n0.893994 0.250000 0.452147 O\n0.106007 0.750000 0.547854 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ta",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Ta",
"density": 5.887791801790818,
"density_atomic": 0.07625702070861136,
"volume": 262.27093340589283,
"volume_molar": 7.897162391134366,
"formula_full": "Ca4 Ta2 Ag2 O12",
"formula_reduced": "Ca2TaAgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.14906683,
"spacegroup": 11
},
{
"id": "jvasp-48722",
"created_at": "2022-09-04T14:36:12.352679Z",
"updated_at": "2022-09-04T14:36:12.352702Z",
"structure_string": "Li10 Fe2 O6 F2\n1.0\n-1.820950 -4.695181 -4.351729\n-1.820950 4.695181 -4.351729\n3.675426 0.000000 -2.915152\nLi Fe O F\n10 2 6 2\ndirect\n0.963516 0.546434 0.254484 Li\n0.467956 0.037878 0.743668 Li\n0.212121 0.782043 0.506333 Li\n0.268610 0.268610 0.241708 Li\n0.981390 0.981390 0.008292 Li\n0.037878 0.467956 0.743668 Li\n0.286483 0.703566 0.995517 Li\n0.546434 0.963516 0.254484 Li\n0.703566 0.286483 0.995517 Li\n0.782043 0.212121 0.506333 Li\n0.494361 0.494361 0.493532 Fe\n0.755639 0.755639 0.756469 Fe\n0.228107 0.525600 0.374222 O\n0.525600 0.228107 0.374222 O\n0.770561 0.479438 0.625001 O\n0.479438 0.770561 0.625001 O\n0.724399 0.021893 0.875779 O\n0.021893 0.724399 0.875779 O\n0.979400 0.270600 0.125000 F\n0.270600 0.979400 0.125000 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.615586167225775,
"density_atomic": 0.09997948387620885,
"volume": 200.04104066753646,
"volume_molar": 6.023376523383946,
"formula_full": "Li10 Fe2 O6 F2",
"formula_reduced": "Li5FeO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.4712696282500002,
"spacegroup": 12
},
{
"id": "jvasp-112901",
"created_at": "2022-09-04T14:38:45.363470Z",
"updated_at": "2022-09-04T14:38:45.363500Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.166605 -0.000000 0.000000\n0.000000 7.766774 0.000000\n-0.000000 -0.000000 10.670260\nRb Ge Cl\n4 4 12\ndirect\n0.971087 0.422123 0.750917 Rb\n0.471087 0.077877 0.250917 Rb\n0.528914 0.922123 0.750917 Rb\n0.028914 0.577876 0.250917 Rb\n0.486984 0.476025 0.515699 Ge\n0.513017 0.523974 0.015699 Ge\n0.013016 0.976025 0.515699 Ge\n0.986984 0.023974 0.015699 Ge\n0.574446 0.499256 0.239752 Cl\n0.925555 -0.000744 0.239752 Cl\n0.700971 0.181239 0.968036 Cl\n0.425555 0.500743 0.739752 Cl\n0.799030 0.681238 0.968036 Cl\n0.172109 0.287781 0.040794 Cl\n0.299029 0.818761 0.468036 Cl\n0.827892 0.712218 0.540794 Cl\n0.074445 0.000744 0.739752 Cl\n0.327892 0.787781 0.040794 Cl\n0.200971 0.318761 0.468036 Cl\n0.672109 0.212219 0.540794 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9576794980702656,
"density_atomic": 0.03367447684643324,
"volume": 593.9216247131802,
"volume_molar": 17.88339812215333,
"formula_full": "Rb4 Ge4 Cl12",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 33
}
]
}