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=created_at&page=1239",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1237",
"results": [
{
"id": "jvasp-85898",
"created_at": "2022-09-04T14:36:22.136681Z",
"updated_at": "2022-09-04T14:36:22.136708Z",
"structure_string": "Th1 Si2 Os2\n1.0\n3.960354 0.000000 -1.555484\n-0.610937 3.912947 -1.555484\n-0.023166 -0.027064 5.760406\nTh Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630798 0.630800 0.261601 Si\n0.369199 0.369202 0.738401 Si\n0.749999 0.250001 0.500001 Os\n0.249999 0.750001 0.500001 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Os"
],
"chemical_system": "Os-Si-Th",
"density": 12.485171868794994,
"density_atomic": 0.05622172979908693,
"volume": 88.93358525018564,
"volume_molar": 10.711411373361555,
"formula_full": "Th1 Si2 Os2",
"formula_reduced": "Th(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.44862456,
"spacegroup": 139
},
{
"id": "jvasp-92339",
"created_at": "2022-09-04T14:36:22.138681Z",
"updated_at": "2022-09-04T14:36:22.138716Z",
"structure_string": "Ca1 Co1 O3\n1.0\n3.744657 0.000000 -0.000000\n0.000000 3.744657 -0.000000\n0.000000 0.000000 3.744657\nCa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.6489840548481896,
"density_atomic": 0.09522124888333316,
"volume": 52.50928819602117,
"volume_molar": 6.324366494476919,
"formula_full": "Ca1 Co1 O3",
"formula_reduced": "CaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7649603639999998,
"spacegroup": 221
},
{
"id": "jvasp-94957",
"created_at": "2022-09-04T14:36:22.138984Z",
"updated_at": "2022-09-04T14:36:22.139019Z",
"structure_string": "Ni4 O3\n1.0\n4.074242 -0.000000 -0.000000\n0.000000 4.074242 0.000000\n0.000000 0.000000 4.074242\nNi O\n4 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.499999 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 6.9429610593987325,
"density_atomic": 0.10350410530237787,
"volume": 67.63016770735938,
"volume_molar": 5.818262707944638,
"formula_full": "Ni4 O3",
"formula_reduced": "Ni4O3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7845200142857145,
"spacegroup": 221
},
{
"id": "jvasp-95445",
"created_at": "2022-09-04T14:36:22.141084Z",
"updated_at": "2022-09-04T14:36:22.141119Z",
"structure_string": "K2 Eu2 Pd2 O6\n1.0\n3.919449 -0.000000 -0.000000\n-1.959724 6.359602 -1.640037\n-0.000000 0.007496 7.343541\nK Eu Pd O\n2 2 2 6\ndirect\n0.355522 0.711041 0.436598 K\n0.644480 0.288960 0.563402 K\n0.649737 0.299473 0.076825 Eu\n0.350264 0.700527 0.923175 Eu\n0.992908 0.985814 0.228410 Pd\n0.007093 0.014186 0.771589 Pd\n0.829293 0.658584 0.132433 O\n0.846751 0.693500 0.724526 O\n0.493739 0.987476 0.188457 O\n0.506262 0.012524 0.811543 O\n0.170709 0.341417 0.867567 O\n0.153251 0.306501 0.275473 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Eu",
"Pd",
"O"
],
"chemical_system": "Eu-K-O-Pd",
"density": 6.266540431765168,
"density_atomic": 0.06554000339474289,
"volume": 183.09428407754012,
"volume_molar": 9.188496258886444,
"formula_full": "K2 Eu2 Pd2 O6",
"formula_reduced": "KEuPdO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3878106999999995,
"spacegroup": 12
},
{
"id": "jvasp-66401",
"created_at": "2022-09-04T14:36:22.141603Z",
"updated_at": "2022-09-04T14:36:22.141628Z",
"structure_string": "Ba1 Sn1 Sb1\n1.0\n0.000000 3.947181 3.947181\n3.947181 0.000000 3.947181\n3.947181 3.947181 0.000000\nBa Sn Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Sb"
],
"chemical_system": "Ba-Sb-Sn",
"density": 5.100543805658931,
"density_atomic": 0.024391029648863565,
"volume": 122.99603760843188,
"volume_molar": 24.68998171334102,
"formula_full": "Ba1 Sn1 Sb1",
"formula_reduced": "BaSnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4758379233333333,
"spacegroup": 216
},
{
"id": "jvasp-90820",
"created_at": "2022-09-04T14:36:22.150100Z",
"updated_at": "2022-09-04T14:36:22.150129Z",
"structure_string": "Zr4 Pb2 C2\n1.0\n-1.707028 -2.956664 0.000000\n-1.707028 2.956664 -0.000000\n0.000000 -0.000000 -14.891137\nZr Pb C\n4 2 2\ndirect\n0.666676 0.333326 0.582475 Zr\n0.333326 0.666676 0.417526 Zr\n0.333326 0.666676 0.082474 Zr\n0.666676 0.333326 0.917526 Zr\n0.666674 0.333327 0.250000 Pb\n0.333327 0.666674 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"C"
],
"chemical_system": "C-Pb-Zr",
"density": 8.874334577688249,
"density_atomic": 0.05322179452021566,
"volume": 150.31436035027522,
"volume_molar": 11.315177953484005,
"formula_full": "Zr4 Pb2 C2",
"formula_reduced": "Zr2PbC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.538397455,
"spacegroup": 194
},
{
"id": "jvasp-67029",
"created_at": "2022-09-04T14:36:22.153957Z",
"updated_at": "2022-09-04T14:36:22.153991Z",
"structure_string": "Sc1 Be1 Fe1\n1.0\n1.579227 -2.735301 0.000000\n1.579227 2.735301 -0.000000\n-0.000000 -0.000000 4.978009\nSc Be Fe\n1 1 1\ndirect\n0.666668 0.333334 0.340978 Sc\n-0.000000 0.000000 0.939918 Be\n0.333334 0.666668 0.719104 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Sc",
"density": 4.240019633534594,
"density_atomic": 0.06975669513637311,
"volume": 43.00662458470908,
"volume_molar": 8.633064895386488,
"formula_full": "Sc1 Be1 Fe1",
"formula_reduced": "ScBeFe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.399732283333333,
"spacegroup": 156
},
{
"id": "jvasp-66239",
"created_at": "2022-09-04T14:36:22.158544Z",
"updated_at": "2022-09-04T14:36:22.158568Z",
"structure_string": "Ba4 Fe1 Bi1\n1.0\n0.000000 4.935248 4.935248\n4.935248 0.000000 4.935248\n4.935248 4.935248 -0.000000\nBa Fe Bi\n4 1 1\ndirect\n0.125450 0.624850 0.624850 Ba\n0.624850 0.624850 0.624850 Ba\n0.624850 0.125450 0.624850 Ba\n0.624850 0.624850 0.125450 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Bi"
],
"chemical_system": "Ba-Bi-Fe",
"density": 5.623254382346985,
"density_atomic": 0.024957111032282736,
"volume": 240.41244165796388,
"volume_molar": 24.129959401992437,
"formula_full": "Ba4 Fe1 Bi1",
"formula_reduced": "Ba4FeBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7472272799999998,
"spacegroup": 216
},
{
"id": "jvasp-94317",
"created_at": "2022-09-04T14:36:22.160103Z",
"updated_at": "2022-09-04T14:36:22.160130Z",
"structure_string": "Cr2 N4\n1.0\n3.883339 0.000000 0.000000\n0.000000 4.797168 0.000000\n0.000000 0.000000 2.795036\nCr N\n2 4\ndirect\n0.500000 0.500000 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.635026 0.088851 0.500001 N\n0.364974 0.911149 0.500001 N\n0.135026 0.411149 0.000000 N\n0.864974 0.588851 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.103204959155685,
"density_atomic": 0.11523213594055452,
"volume": 52.068808332210864,
"volume_molar": 5.226094883033912,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.403677966666665,
"spacegroup": 58
},
{
"id": "jvasp-91434",
"created_at": "2022-09-04T14:36:22.162473Z",
"updated_at": "2022-09-04T14:36:22.162492Z",
"structure_string": "Hf4 P4 O18\n1.0\n6.065312 0.000000 2.667525\n2.967049 6.821058 1.482935\n0.017374 0.013544 8.189790\nHf P O\n4 4 18\ndirect\n0.683662 0.268014 0.364660 Hf\n0.316337 0.731985 0.635340 Hf\n0.942641 0.212346 0.902371 Hf\n0.057358 0.787653 0.097629 Hf\n0.591214 0.656572 0.161000 P\n0.170551 0.205490 0.453407 P\n0.408785 0.343428 0.839000 P\n0.829448 0.794510 0.546594 P\n0.995033 0.275333 0.353344 O\n0.756778 0.764047 0.101531 O\n0.967826 0.705782 0.358566 O\n0.622355 0.235953 0.898469 O\n0.266574 0.558772 0.908079 O\n0.484892 0.396321 0.633894 O\n0.032173 0.294218 0.641434 O\n0.376289 0.275333 0.353344 O\n0.623710 0.724666 0.646656 O\n0.377644 0.764047 0.101531 O\n0.243221 0.235953 0.898470 O\n0.885050 0.072295 0.157603 O\n0.725722 0.021306 0.527249 O\n0.733426 0.441228 0.091922 O\n0.274277 0.978694 0.472751 O\n0.515108 0.603679 0.366106 O\n0.114949 0.927705 0.842397 O\n0.004966 0.724666 0.646657 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hf",
"P",
"O"
],
"chemical_system": "Hf-O-P",
"density": 5.522985542845787,
"density_atomic": 0.07681036760200824,
"volume": 338.4959714646675,
"volume_molar": 7.840270718666042,
"formula_full": "Hf4 P4 O18",
"formula_reduced": "Hf2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.414513730769231,
"spacegroup": 12
},
{
"id": "jvasp-99856",
"created_at": "2022-09-04T14:36:22.165311Z",
"updated_at": "2022-09-04T14:36:22.165331Z",
"structure_string": "Y6 Er2\n1.0\n7.206690 0.000000 0.000000\n-3.603345 6.241176 -0.000000\n-0.000000 0.000000 5.608668\nY Er\n6 2\ndirect\n0.167534 0.335066 0.250000 Y\n0.664935 0.832467 0.250000 Y\n0.167534 0.832467 0.250000 Y\n0.832467 0.664934 0.750000 Y\n0.335066 0.167534 0.750000 Y\n0.832467 0.167534 0.750000 Y\n0.333334 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Er"
],
"chemical_system": "Er-Y",
"density": 5.713251629693217,
"density_atomic": 0.03171231765698117,
"volume": 252.2679069544094,
"volume_molar": 18.989910561375456,
"formula_full": "Y6 Er2",
"formula_reduced": "Y3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5205540875,
"spacegroup": 194
},
{
"id": "jvasp-87318",
"created_at": "2022-09-04T14:36:22.166582Z",
"updated_at": "2022-09-04T14:36:22.166607Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-O-Si",
"density": 2.5649860518484178,
"density_atomic": 0.10171737498479104,
"volume": 334.2595107776202,
"volume_molar": 5.920464189034017,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 2.927907311764706,
"spacegroup": 9
}
]
}