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_reduced&page=895",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=893",
"results": [
{
"id": "jvasp-36680",
"created_at": "2022-09-04T14:38:06.024554Z",
"updated_at": "2022-09-04T14:38:06.024577Z",
"structure_string": "Ca2 W2 N6\n1.0\n-2.028944 -2.889723 -0.884715\n-4.795880 2.890341 1.557891\n2.017219 2.889058 -6.574421\nCa W N\n2 2 6\ndirect\n0.590232 0.290821 0.180466 Ca\n0.409766 0.709178 0.819534 Ca\n0.157155 0.871867 0.314311 W\n0.842843 0.128133 0.685689 W\n0.131420 0.551499 0.262841 N\n0.868577 0.448500 0.737158 N\n0.967352 0.061569 0.934708 N\n0.308631 0.979134 0.617264 N\n0.032646 0.938430 0.065291 N\n0.691366 0.020866 0.382736 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"W",
"N"
],
"chemical_system": "Ca-N-W",
"density": 6.002650706824085,
"density_atomic": 0.06796470212824034,
"volume": 147.1351994029391,
"volume_molar": 8.860688815551672,
"formula_full": "Ca2 W2 N6",
"formula_reduced": "CaWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.723762033999999,
"spacegroup": 12
},
{
"id": "jvasp-115809",
"created_at": "2022-09-04T14:38:39.584178Z",
"updated_at": "2022-09-04T14:38:39.584189Z",
"structure_string": "Ca1 W1 O2\n1.0\n1.559988 0.900660 5.507676\n-1.559988 0.900660 5.507676\n-0.000000 -1.801319 5.507676\nCa W O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 W\n0.251060 0.251060 0.251060 O\n0.748940 0.748940 0.748940 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 9.152638035688678,
"density_atomic": 0.08615061550518745,
"volume": 46.430312500311096,
"volume_molar": 6.990246935191524,
"formula_full": "Ca1 W1 O2",
"formula_reduced": "CaWO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6700693549999994,
"spacegroup": 166
},
{
"id": "jvasp-8389",
"created_at": "2022-09-04T14:37:17.123093Z",
"updated_at": "2022-09-04T14:37:17.123120Z",
"structure_string": "Ca1 W1 O3\n1.0\n3.982209 -0.014063 -0.040251\n0.211817 3.976575 -0.044257\n0.032919 0.035110 3.982580\nCa W O\n1 1 3\ndirect\n0.528966 0.528825 0.508557 Ca\n0.968508 0.968530 0.011412 W\n0.961776 0.961818 0.511485 O\n0.960397 0.467039 0.011766 O\n0.467014 0.960445 0.011764 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 7.156947044810106,
"density_atomic": 0.07925261998109523,
"volume": 63.08939693340978,
"volume_molar": 7.598664575930121,
"formula_full": "Ca1 W1 O3",
"formula_reduced": "CaWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.647354184,
"spacegroup": 38
},
{
"id": "jvasp-112955",
"created_at": "2022-09-04T14:38:45.652264Z",
"updated_at": "2022-09-04T14:38:45.652288Z",
"structure_string": "Ca4 W4 O16\n1.0\n7.696647 0.029333 0.000000\n-3.845082 6.667427 0.000000\n-0.000000 -0.000000 5.294870\nCa W O\n4 4 16\ndirect\n0.588649 0.911351 0.750000 Ca\n0.911352 0.588649 0.250000 Ca\n0.411351 0.088649 0.250000 Ca\n0.088649 0.411351 0.750000 Ca\n0.408276 0.591725 0.207588 W\n0.591725 0.408275 0.792412 W\n0.091725 0.908276 0.707588 W\n0.908276 0.091724 0.292412 W\n0.907979 0.092021 0.945537 O\n0.092021 0.907979 0.054463 O\n0.350441 0.350441 -0.000000 O\n0.850442 0.850441 0.500000 O\n0.649559 0.649559 -0.000000 O\n0.149559 0.149559 0.500000 O\n0.700623 0.299377 0.001251 O\n0.899135 0.600865 0.750000 O\n0.799378 0.200622 0.501251 O\n0.200623 0.799378 0.498749 O\n0.407979 0.592021 0.554463 O\n0.600866 0.899135 0.250000 O\n0.100866 0.399135 0.250000 O\n0.399135 0.100865 0.750000 O\n0.299378 0.700623 -0.001251 O\n0.592021 0.407979 0.445537 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 7.02272512178407,
"density_atomic": 0.0881338264757873,
"volume": 272.31315103053464,
"volume_molar": 6.832950526270912,
"formula_full": "Ca4 W4 O16",
"formula_reduced": "CaWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.731195736666667,
"spacegroup": 64
},
{
"id": "jvasp-88542",
"created_at": "2022-09-04T14:37:41.160997Z",
"updated_at": "2022-09-04T14:37:41.161017Z",
"structure_string": "Ca2 W2 O8\n1.0\n4.862093 0.000327 -2.036224\n-0.852642 4.786721 -2.036430\n-0.006190 -0.007684 6.807398\nCa W O\n2 2 8\ndirect\n0.624997 0.875001 0.249994 Ca\n0.375002 0.125001 0.750007 Ca\n0.125008 0.375016 0.250014 W\n0.874990 0.624988 0.749988 W\n0.718895 0.866800 0.923258 O\n0.056471 0.218913 0.423267 O\n0.366796 0.704342 0.423259 O\n0.204344 0.556475 0.923263 O\n0.795656 0.443527 0.076740 O\n0.633205 0.295659 0.576743 O\n0.281104 0.133201 0.076743 O\n0.943529 0.781088 0.576735 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 6.040978028146332,
"density_atomic": 0.07581309250239267,
"volume": 158.28400615132907,
"volume_molar": 7.943404709166746,
"formula_full": "Ca2 W2 O8",
"formula_reduced": "CaWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6868890700000003,
"spacegroup": 88
},
{
"id": "jvasp-50484",
"created_at": "2022-09-04T14:36:46.620305Z",
"updated_at": "2022-09-04T14:36:46.620327Z",
"structure_string": "Ca2 Y4 O8\n1.0\n1.654904 5.513106 0.000000\n-1.654904 5.513106 0.000000\n0.000000 0.000000 10.914172\nCa Y O\n2 4 8\ndirect\n0.112631 0.112631 0.250000 Ca\n0.887369 0.887369 0.750000 Ca\n0.367729 0.367729 0.425524 Y\n0.632272 0.632272 0.574476 Y\n0.367729 0.367729 0.074476 Y\n0.632272 0.632272 0.925524 Y\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.267502 0.267502 0.613665 O\n0.467282 0.467282 0.250000 O\n0.532718 0.532718 0.750000 O\n0.732499 0.732499 0.386335 O\n0.267502 0.267502 0.886335 O\n0.732499 0.732499 0.113665 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Y",
"O"
],
"chemical_system": "Ca-O-Y",
"density": 4.700723054251131,
"density_atomic": 0.07029721147913422,
"volume": 199.15441459801735,
"volume_molar": 8.566685126318994,
"formula_full": "Ca2 Y4 O8",
"formula_reduced": "CaY2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9306979028571425,
"spacegroup": 63
},
{
"id": "jvasp-50829",
"created_at": "2022-09-04T14:36:46.835409Z",
"updated_at": "2022-09-04T14:36:46.835433Z",
"structure_string": "Ca2 Y4 O8\n1.0\n-3.405004 3.404936 4.814729\n3.405004 -3.404936 4.814729\n3.404876 3.404808 -4.814729\nCa Y O\n2 4 8\ndirect\n0.750002 0.250002 0.500001 Ca\n-0.000001 -0.000001 0.000000 Ca\n0.875000 0.625000 0.250001 Y\n0.375000 0.125001 0.750001 Y\n0.375000 0.625000 0.250000 Y\n0.375000 0.625000 0.750000 Y\n0.612104 0.387852 0.224262 O\n0.137838 0.413584 0.275736 O\n0.612162 0.836416 0.224264 O\n0.612152 0.387898 0.775737 O\n0.163591 0.387842 0.775739 O\n0.586409 0.862158 0.724261 O\n0.137896 0.862148 0.275738 O\n0.137848 0.862103 0.724264 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Y",
"O"
],
"chemical_system": "Ca-O-Y",
"density": 4.1928807494494365,
"density_atomic": 0.0627026568783457,
"volume": 223.2760252434357,
"volume_molar": 9.604283231066308,
"formula_full": "Ca2 Y4 O8",
"formula_reduced": "CaY2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.92960076,
"spacegroup": 227
},
{
"id": "jvasp-81186",
"created_at": "2022-09-04T14:37:17.648809Z",
"updated_at": "2022-09-04T14:37:17.648838Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-10.060560 0.000000 -5.808467\n-6.654888 0.317907 -0.090330\n-5.721679 2.957421 -1.706696\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.000000 Y\n0.749027 -0.000001 0.000000 Ag\n0.250974 -0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Ag"
],
"chemical_system": "Ag-Ca-Y",
"density": 5.3736492820073325,
"density_atomic": 0.03755030043324037,
"volume": 106.52378153702095,
"volume_molar": 16.037530167585736,
"formula_full": "Ca1 Y1 Ag2",
"formula_reduced": "CaYAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5915225974999999,
"spacegroup": 71
},
{
"id": "jvasp-76904",
"created_at": "2022-09-04T14:37:52.814367Z",
"updated_at": "2022-09-04T14:37:52.814394Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-10.059698 0.000000 -5.807969\n-6.652787 0.315317 -0.092974\n-5.719471 2.955136 -1.709525\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Y\n0.749058 -0.000000 -0.000000 Ag\n0.250942 -0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Ag"
],
"chemical_system": "Ag-Ca-Y",
"density": 5.3815007952122,
"density_atomic": 0.03760516569597448,
"volume": 106.3683652490378,
"volume_molar": 16.01413169851995,
"formula_full": "Ca1 Y1 Ag2",
"formula_reduced": "CaYAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5922525974999999,
"spacegroup": 71
},
{
"id": "jvasp-89095",
"created_at": "2022-09-04T14:35:47.465874Z",
"updated_at": "2022-09-04T14:35:47.465905Z",
"structure_string": "Ca4 Yb8 O16\n1.0\n3.401194 -0.000000 0.000000\n-0.000000 9.141648 0.000000\n0.000000 0.000000 11.692148\nYb Ca O\n8 4 16\ndirect\n0.250000 0.563709 0.888683 Yb\n0.250000 0.063709 0.611317 Yb\n0.749999 0.936291 0.388683 Yb\n0.749999 0.892717 0.898936 Yb\n0.250000 0.107283 0.101064 Yb\n0.749999 0.392717 0.601064 Yb\n0.250000 0.607283 0.398936 Yb\n0.749999 0.436291 0.111317 Yb\n0.250000 0.763831 0.156336 Ca\n0.749999 0.236169 0.843664 Ca\n0.250000 0.263831 0.343664 Ca\n0.749999 0.736170 0.656336 Ca\n0.250000 0.777806 0.798737 O\n0.749999 0.222194 0.201263 O\n0.250000 0.569813 0.591604 O\n0.749999 0.657021 0.010558 O\n0.250000 0.342980 0.989442 O\n0.749999 0.157020 0.489442 O\n0.250000 0.842980 0.510558 O\n0.749999 0.492636 0.779369 O\n0.250000 0.507364 0.220631 O\n0.749999 0.992637 0.720631 O\n0.250000 0.007364 0.279369 O\n0.749999 0.930187 0.091604 O\n0.250000 0.069813 0.908396 O\n0.749999 0.430187 0.408396 O\n0.749999 0.722194 0.298737 O\n0.250000 0.277806 0.701264 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"O"
],
"chemical_system": "Ca-O-Yb",
"density": 8.224727974229886,
"density_atomic": 0.0770207650720042,
"volume": 363.5383259803212,
"volume_molar": 7.81885346681521,
"formula_full": "Ca4 Yb8 O16",
"formula_reduced": "CaYb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8426665457142855,
"spacegroup": 62
},
{
"id": "jvasp-107901",
"created_at": "2022-09-04T14:36:07.680906Z",
"updated_at": "2022-09-04T14:36:07.680934Z",
"structure_string": "Ca1 Yb3\n1.0\n5.360824 -0.000000 0.000000\n0.000000 5.360824 0.000000\n-0.000000 -0.000000 5.360824\nYb Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 -0.000000 Yb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ca"
],
"chemical_system": "Ca-Yb",
"density": 6.027261846355981,
"density_atomic": 0.0259636259419216,
"volume": 154.06168648969356,
"volume_molar": 23.19452904409812,
"formula_full": "Ca1 Yb3",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-100153",
"created_at": "2022-09-04T14:36:51.404953Z",
"updated_at": "2022-09-04T14:36:51.404988Z",
"structure_string": "Ca2 Yb6\n1.0\n7.586232 -0.000000 0.000000\n-3.793116 6.569870 0.000000\n0.000000 -0.000000 6.230843\nYb Ca\n6 2\ndirect\n0.166456 0.332912 0.250000 Yb\n0.667088 0.833544 0.250000 Yb\n0.166455 0.833544 0.250000 Yb\n0.833543 0.667088 0.750000 Yb\n0.332912 0.166456 0.750000 Yb\n0.833544 0.166456 0.750000 Yb\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ca"
],
"chemical_system": "Ca-Yb",
"density": 5.980190215174191,
"density_atomic": 0.02576085555370311,
"volume": 310.54869211632234,
"volume_molar": 23.377099209479944,
"formula_full": "Ca2 Yb6",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00296,
"spacegroup": 194
}
]
}