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=-spacegroup&page=3387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3385",
"results": [
{
"id": "jvasp-106187",
"created_at": "2022-09-04T14:36:22.190186Z",
"updated_at": "2022-09-04T14:36:22.190209Z",
"structure_string": "Ca1 Mn3 O4\n1.0\n5.521926 0.017822 0.000000\n-1.829904 5.209937 0.000000\n0.000000 0.000000 3.230012\nCa Mn O\n1 3 4\ndirect\n0.500001 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.243202 0.756799 0.000000 O\n0.760001 0.760001 0.500000 O\n0.240000 0.240000 0.500000 O\n0.756799 0.243201 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.799589463600969,
"density_atomic": 0.0859945162280188,
"volume": 93.02918780062203,
"volume_molar": 7.002935796547758,
"formula_full": "Ca1 Mn3 O4",
"formula_reduced": "CaMn3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.967728268017241,
"spacegroup": 65
},
{
"id": "jvasp-92586",
"created_at": "2022-09-04T14:36:22.380398Z",
"updated_at": "2022-09-04T14:36:22.380424Z",
"structure_string": "Mn1 Cl2 O2\n1.0\n-0.229038 0.000000 -3.382350\n-3.358641 -3.473294 0.243274\n-3.358641 3.473294 0.243274\nMn Cl O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.502118 0.239660 0.239660 Cl\n0.497885 0.760340 0.760340 Cl\n0.000001 0.763185 0.236815 O\n0.000001 0.236815 0.763185 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O",
"density": 3.305182200110899,
"density_atomic": 0.0630509176814217,
"volume": 79.3009869461944,
"volume_molar": 9.551234115938104,
"formula_full": "Mn1 Cl2 O2",
"formula_reduced": "Mn(ClO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8501604752758616,
"spacegroup": 65
},
{
"id": "jvasp-22707",
"created_at": "2022-09-04T14:36:22.388878Z",
"updated_at": "2022-09-04T14:36:22.388907Z",
"structure_string": "Ca1 Cd3 O4\n1.0\n-0.000000 2.399129 2.399129\n-4.758094 2.371132 -2.371132\n-4.758094 -2.371132 2.371132\nCa Cd O\n1 3 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.750415 0.750415 O\n0.500000 0.747155 0.252844 O\n0.500000 0.252844 0.747155 O\n0.000000 0.249584 0.249584 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"O"
],
"chemical_system": "Ca-Cd-O",
"density": 6.768448788493013,
"density_atomic": 0.07389033677611062,
"volume": 108.26855511892143,
"volume_molar": 8.150105985099541,
"formula_full": "Ca1 Cd3 O4",
"formula_reduced": "CaCd3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.36483875,
"spacegroup": 65
},
{
"id": "jvasp-91635",
"created_at": "2022-09-04T14:36:22.507736Z",
"updated_at": "2022-09-04T14:36:22.507753Z",
"structure_string": "Cu2 Si1 Ni1 S4\n1.0\n-4.771866 0.000000 0.138940\n0.174342 0.000000 -4.772338\n0.000000 -6.214343 0.000000\nCu Si Ni S\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.500001 0.500000 0.000000 Ni\n0.253465 0.253457 0.756601 S\n0.253465 0.253457 0.243398 S\n0.746536 0.746543 0.243398 S\n0.746536 0.746543 0.756601 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Si",
"Ni",
"S"
],
"chemical_system": "Cu-Ni-S-Si",
"density": 4.018731003396515,
"density_atomic": 0.056589717648755665,
"volume": 141.3684381614141,
"volume_molar": 10.641757920367393,
"formula_full": "Cu2 Si1 Ni1 S4",
"formula_reduced": "Cu2SiNiS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5607314874999998,
"spacegroup": 65
},
{
"id": "jvasp-18555",
"created_at": "2022-09-04T14:36:22.522190Z",
"updated_at": "2022-09-04T14:36:22.522215Z",
"structure_string": "Y2 B3 C2\n1.0\n3.293855 0.000000 -0.814789\n0.000000 3.650218 0.000000\n-0.002190 0.000000 7.056390\nY B C\n2 3 2\ndirect\n0.364454 0.500000 0.728908 Y\n0.635547 0.500000 0.271092 Y\n0.217174 0.000000 0.434347 B\n0.000000 0.000000 0.000000 B\n0.782827 0.000000 0.565653 B\n0.104986 0.000000 0.209971 C\n0.895015 0.000000 0.790029 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"B",
"C"
],
"chemical_system": "B-C-Y",
"density": 4.5854929780016604,
"density_atomic": 0.08251359852724056,
"volume": 84.83450152387985,
"volume_molar": 7.2983615640177,
"formula_full": "Y2 B3 C2",
"formula_reduced": "Y2B3C2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.0169226642857145,
"spacegroup": 65
},
{
"id": "jvasp-93851",
"created_at": "2022-09-04T14:36:22.535754Z",
"updated_at": "2022-09-04T14:36:22.535788Z",
"structure_string": "Na4 Cl2\n1.0\n0.000000 3.501318 0.000000\n3.484819 1.750659 -6.635979\n-3.484819 1.750659 -6.635979\nNa Cl\n4 2\ndirect\n0.626534 0.873456 0.373478 Na\n0.373467 0.626522 0.126544 Na\n0.373467 0.126544 0.626522 Na\n0.626534 0.373478 0.873456 Na\n0.000103 0.749897 0.749897 Cl\n-0.000103 0.250103 0.250103 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 1.6700531220206096,
"density_atomic": 0.037051386922750326,
"volume": 161.93725790911958,
"volume_molar": 16.25348269028569,
"formula_full": "Na4 Cl2",
"formula_reduced": "Na2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1057900000000001,
"spacegroup": 65
},
{
"id": "jvasp-101077",
"created_at": "2022-09-04T14:36:30.736437Z",
"updated_at": "2022-09-04T14:36:30.736457Z",
"structure_string": "Zn1 Cu1\n1.0\n2.641112 0.403288 0.000000\n-0.519868 2.620659 0.000000\n-0.000000 0.000000 3.628881\nZn Cu\n1 1\ndirect\n0.499999 0.500001 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn",
"density": 8.274797847844999,
"density_atomic": 0.07728587091231595,
"volume": 25.87795125281157,
"volume_molar": 7.792033251242481,
"formula_full": "Zn1 Cu1",
"formula_reduced": "ZnCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0006,
"spacegroup": 65
},
{
"id": "jvasp-93478",
"created_at": "2022-09-04T14:36:30.892930Z",
"updated_at": "2022-09-04T14:36:30.892950Z",
"structure_string": "Cr1 Ir1 O4\n1.0\n-0.000674 3.071603 0.000004\n-4.486282 3.070484 -0.097190\n-0.082257 0.000007 4.486816\nCr Ir O\n1 1 4\ndirect\n0.499959 0.999526 0.000416 Cr\n0.499963 0.499526 0.500417 Ir\n0.189252 0.810238 0.811157 O\n0.199934 0.299538 0.700381 O\n0.810670 0.188813 0.189677 O\n0.799991 0.699513 0.300452 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"O"
],
"chemical_system": "Cr-Ir-O",
"density": 8.275602842605196,
"density_atomic": 0.09701839399329194,
"volume": 61.843942710645706,
"volume_molar": 6.207215469281406,
"formula_full": "Cr1 Ir1 O4",
"formula_reduced": "CrIrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.270185416666666,
"spacegroup": 65
},
{
"id": "jvasp-92631",
"created_at": "2022-09-04T14:36:31.106617Z",
"updated_at": "2022-09-04T14:36:31.106642Z",
"structure_string": "Cd1 Br2 N2\n1.0\n0.000000 0.000000 -3.901141\n-3.791738 -4.073470 0.000000\n-3.791738 4.073470 0.000000\nCd Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.748907 0.748907 Br\n0.500000 0.251094 0.251094 Br\n0.000000 0.301270 0.698731 N\n0.000000 0.698731 0.301270 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"Br",
"N"
],
"chemical_system": "Br-Cd-N",
"density": 4.136968071818059,
"density_atomic": 0.04149019902036503,
"volume": 120.51038843042915,
"volume_molar": 14.514610443406395,
"formula_full": "Cd1 Br2 N2",
"formula_reduced": "Cd(BrN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0647388920000003,
"spacegroup": 65
},
{
"id": "jvasp-52248",
"created_at": "2022-09-04T14:36:37.279447Z",
"updated_at": "2022-09-04T14:36:37.279461Z",
"structure_string": "Li2 Bi1 O3\n1.0\n-3.460364 0.000112 0.008447\n-0.000137 -4.448419 -0.003083\n0.029581 2.221200 4.881818\nLi Bi O\n2 1 3\ndirect\n0.499485 0.656513 0.312102 Li\n0.498773 0.345538 0.690140 Li\n0.999083 0.000838 0.001100 Bi\n0.500617 0.150321 0.300489 O\n0.497507 0.850961 0.701716 O\n-0.000984 0.500797 0.001080 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 5.98709895301406,
"density_atomic": 0.07986798962616014,
"volume": 75.123964282616,
"volume_molar": 7.540118122652099,
"formula_full": "Li2 Bi1 O3",
"formula_reduced": "Li2BiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4838591333333335,
"spacegroup": 65
},
{
"id": "jvasp-93481",
"created_at": "2022-09-04T14:36:31.868409Z",
"updated_at": "2022-09-04T14:36:31.868438Z",
"structure_string": "Ta1 Cr1 O4\n1.0\n4.636798 0.009076 0.035374\n-4.642755 3.063371 -0.040759\n-0.108557 0.007927 4.635211\nTa Cr O\n1 1 4\ndirect\n0.502732 0.499998 0.002353 Ta\n0.502712 0.999981 0.502352 Cr\n0.199499 -0.000009 0.805496 O\n0.197694 0.499978 0.697424 O\n0.805946 -0.000024 0.199220 O\n0.807726 0.499975 0.307289 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ta",
"density": 7.465647242123413,
"density_atomic": 0.09084449252026595,
"volume": 66.04693177917743,
"volume_molar": 6.629065332338729,
"formula_full": "Ta1 Cr1 O4",
"formula_reduced": "TaCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4686467666666667,
"spacegroup": 65
},
{
"id": "jvasp-93809",
"created_at": "2022-09-04T14:36:31.941903Z",
"updated_at": "2022-09-04T14:36:31.941922Z",
"structure_string": "Dy1 Si1 Ni4\n1.0\n0.000000 0.000000 -3.962922\n-2.533933 -4.077266 0.000000\n-2.533933 4.077266 0.000000\nDy Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.499999 0.499999 Si\n0.000000 0.341142 0.658856 Ni\n0.000000 0.658856 0.341142 Ni\n0.500000 -0.000001 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ni"
],
"chemical_system": "Dy-Ni-Si",
"density": 8.6257155560079,
"density_atomic": 0.07327259238410898,
"volume": 81.88600682430956,
"volume_molar": 8.218817656171879,
"formula_full": "Dy1 Si1 Ni4",
"formula_reduced": "DySiNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5046691166666666,
"spacegroup": 65
}
]
}