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=density&page=186",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=184",
"results": [
{
"id": "jvasp-64680",
"created_at": "2022-09-04T14:35:51.907260Z",
"updated_at": "2022-09-04T14:35:51.907288Z",
"structure_string": "Ba1 Li1 Ca1\n1.0\n0.000000 4.240527 4.240527\n4.240527 0.000000 4.240527\n4.240527 4.240527 -0.000000\nBa Li Ca\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.0072123575779055,
"density_atomic": 0.0196712410739417,
"volume": 152.50690023691848,
"volume_molar": 30.61393400326668,
"formula_full": "Ba1 Li1 Ca1",
"formula_reduced": "BaLiCa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2496193283333333,
"spacegroup": 216
},
{
"id": "jvasp-36327",
"created_at": "2022-09-04T14:37:18.509052Z",
"updated_at": "2022-09-04T14:37:18.509078Z",
"structure_string": "Na1 N1\n1.0\n2.482675 2.482675 0.000000\n2.482675 0.000000 -2.482675\n0.000000 2.482675 -2.482675\nNa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 2.00733459016952,
"density_atomic": 0.06534921679745369,
"volume": 30.60480443398259,
"volume_molar": 9.215322011685766,
"formula_full": "Na1 N1",
"formula_reduced": "NaN",
"formula_anonymous": "AB",
"energy_above_hull": 2.026851125,
"spacegroup": 225
},
{
"id": "jvasp-93174",
"created_at": "2022-09-04T14:36:15.759834Z",
"updated_at": "2022-09-04T14:36:15.759861Z",
"structure_string": "Li1 Mg6 Cr1\n1.0\n6.225947 -0.065091 0.000000\n-3.169344 5.489464 0.000000\n0.000000 0.000000 4.986008\nLi Mg Cr\n1 6 1\ndirect\n0.170877 0.335438 0.250000 Li\n0.668372 0.335024 0.250000 Mg\n0.668372 0.833346 0.250000 Mg\n0.323530 0.157652 0.750000 Mg\n0.323530 0.665878 0.750000 Mg\n0.835274 0.167637 0.750000 Mg\n0.840200 0.670100 0.750000 Mg\n0.169846 0.834922 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cr"
],
"chemical_system": "Cr-Li-Mg",
"density": 2.0074758304661047,
"density_atomic": 0.04723142351497906,
"volume": 169.37876110091972,
"volume_molar": 12.75028426380189,
"formula_full": "Li1 Mg6 Cr1",
"formula_reduced": "LiMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0735227124999999,
"spacegroup": 38
},
{
"id": "jvasp-99492",
"created_at": "2022-09-04T14:36:32.178531Z",
"updated_at": "2022-09-04T14:36:32.178559Z",
"structure_string": "Sr1 Ca3\n1.0\n5.404664 -0.000000 3.120384\n1.801555 5.095566 3.120384\n-0.000000 -0.000000 6.240768\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750001 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.008206254006711,
"density_atomic": 0.023273452983190227,
"volume": 171.8696406110898,
"volume_molar": 25.87557920326488,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0024824999999999,
"spacegroup": 225
},
{
"id": "jvasp-112199",
"created_at": "2022-09-04T14:38:44.205995Z",
"updated_at": "2022-09-04T14:38:44.206022Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.907098 -0.070667 -0.045692\n-1.063459 4.351733 -0.306983\n0.214205 0.023305 15.949988\nCd H C O\n1 18 11 4\ndirect\n0.763489 0.892583 0.158320 Cd\n0.909597 0.554569 0.482872 H\n0.902642 0.087467 0.386064 H\n0.640606 -0.003602 0.883056 H\n0.449308 0.008576 0.694484 H\n0.878926 0.021807 0.730430 H\n0.668236 0.036278 0.541780 H\n0.095526 0.044334 0.578561 H\n0.334213 0.559524 0.520024 H\n0.217264 0.991530 0.842931 H\n0.253190 0.500275 0.931830 H\n0.646704 0.455831 0.978531 H\n0.466300 0.501945 0.782350 H\n0.890952 0.507796 0.820205 H\n0.679022 0.520000 0.632277 H\n0.108838 0.533679 0.668074 H\n0.176405 0.600264 0.330057 H\n0.579091 0.616905 0.380217 H\n0.313328 0.070703 0.427712 H\n0.087322 0.230352 0.074518 C\n0.401267 0.330410 0.945039 C\n0.470196 0.145369 0.866495 C\n0.638233 0.351620 0.797096 C\n0.701696 0.168408 0.716504 C\n0.152991 0.231328 0.413998 C\n0.920578 0.193303 0.564866 C\n0.082699 0.403523 0.495932 C\n0.343145 0.454905 0.350856 C\n0.467087 0.308808 0.272076 C\n0.856732 0.373458 0.645957 C\n0.185368 0.108962 0.000376 O\n0.709668 0.470691 0.228827 O\n0.338796 0.020544 0.251669 O\n0.192809 0.512051 0.092631 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0085446189908427,
"density_atomic": 0.12589343629143795,
"volume": 270.0696795763954,
"volume_molar": 4.783522427697501,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.565001875,
"spacegroup": 1
},
{
"id": "jvasp-114247",
"created_at": "2022-09-04T14:38:41.005163Z",
"updated_at": "2022-09-04T14:38:41.005186Z",
"structure_string": "Al1 B1\n1.0\n3.696879 0.000000 -0.000000\n-1.848440 3.201592 0.000000\n0.000000 0.000000 2.639454\nAl B\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.0088145386509386,
"density_atomic": 0.06401985346743022,
"volume": 31.240308930377196,
"volume_molar": 9.406676888230825,
"formula_full": "Al1 B1",
"formula_reduced": "AlB",
"formula_anonymous": "AB",
"energy_above_hull": 2.4978676916666664,
"spacegroup": 187
},
{
"id": "jvasp-112932",
"created_at": "2022-09-04T14:38:45.378277Z",
"updated_at": "2022-09-04T14:38:45.378300Z",
"structure_string": "Sr1 H16 O10\n1.0\n6.153468 0.026599 -0.180846\n0.001097 6.160391 -0.019546\n-0.079906 0.093402 5.753237\nSr H O\n1 16 10\ndirect\n-0.000022 -0.001919 -0.004872 Sr\n0.079148 0.714870 0.478700 H\n0.256977 0.630626 0.317029 H\n0.947598 0.475130 0.213381 H\n0.529227 -0.012017 0.226984 H\n0.600958 0.742619 0.267409 H\n0.367950 0.291478 0.298426 H\n0.285982 0.096156 0.448716 H\n0.706158 0.399907 0.247423 H\n0.743265 0.365379 0.673104 H\n0.293714 0.596393 0.742560 H\n0.052209 0.521206 0.776170 H\n0.470840 0.008160 0.763529 H\n0.399328 0.253552 0.723094 H\n0.713998 0.900028 0.541846 H\n0.631825 0.704516 0.691819 H\n-0.079127 0.281346 0.511043 H\n0.660319 0.891234 0.230889 O\n0.299328 0.140688 0.283412 O\n0.894689 0.296193 0.678588 O\n0.148661 0.649797 0.795799 O\n0.511186 0.486193 0.626569 O\n0.700444 0.855336 0.707055 O\n0.488929 0.509976 0.363688 O\n0.851078 0.346583 0.193749 O\n0.339827 0.104988 0.759581 O\n0.105514 0.699799 0.311234 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.008822391194635,
"density_atomic": 0.12384500438629158,
"volume": 218.01444582926297,
"volume_molar": 4.8626432611008035,
"formula_full": "Sr1 H16 O10",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.029056344814815,
"spacegroup": 2
},
{
"id": "jvasp-69001",
"created_at": "2022-09-04T14:35:40.735181Z",
"updated_at": "2022-09-04T14:35:40.735212Z",
"structure_string": "Ba1 Na1 Li2\n1.0\n6.034551 0.000000 0.000000\n0.000000 6.034551 -0.000000\n-0.000000 0.000000 3.954154\nBa Na Li\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Li"
],
"chemical_system": "Ba-Li-Na",
"density": 2.0088646489196083,
"density_atomic": 0.027778992326443507,
"volume": 143.9937040549992,
"volume_molar": 21.6787588593247,
"formula_full": "Ba1 Na1 Li2",
"formula_reduced": "BaNaLi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1415962425,
"spacegroup": 123
},
{
"id": "jvasp-93158",
"created_at": "2022-09-04T14:35:41.466097Z",
"updated_at": "2022-09-04T14:35:41.466128Z",
"structure_string": "Li1 Mg6 Cr1\n1.0\n6.209720 0.047956 0.000000\n-3.063328 5.401753 0.000000\n0.000000 0.000000 5.023791\nLi Mg Cr\n1 6 1\ndirect\n0.167007 0.332993 0.250000 Li\n0.168081 0.850895 0.250000 Mg\n0.649105 0.331919 0.250000 Mg\n0.662525 0.837475 0.250000 Mg\n0.332158 0.654795 0.750000 Mg\n0.845205 0.167842 0.750000 Mg\n0.837002 0.662998 0.750000 Mg\n0.338918 0.161082 0.750000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cr"
],
"chemical_system": "Cr-Li-Mg",
"density": 2.008968426159225,
"density_atomic": 0.047266540958610756,
"volume": 169.25291840173475,
"volume_molar": 12.740811233200512,
"formula_full": "Li1 Mg6 Cr1",
"formula_reduced": "LiMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0737464624999999,
"spacegroup": 38
},
{
"id": "jvasp-115312",
"created_at": "2022-09-04T14:38:45.785968Z",
"updated_at": "2022-09-04T14:38:45.785996Z",
"structure_string": "Sr1 S1 O1\n1.0\n4.177665 -0.000000 -0.000000\n0.000000 4.177665 -0.000000\n-0.000000 0.000000 6.425964\nSr S O\n1 1 1\ndirect\n0.000000 0.000000 0.671171 Sr\n0.000000 0.000000 0.263198 S\n0.000000 0.000000 0.016587 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 2.008970244986038,
"density_atomic": 0.026749504590369677,
"volume": 112.15160975654317,
"volume_molar": 22.513092680483076,
"formula_full": "Sr1 S1 O1",
"formula_reduced": "SrSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8729766033333334,
"spacegroup": 99
},
{
"id": "jvasp-114671",
"created_at": "2022-09-04T14:38:42.280673Z",
"updated_at": "2022-09-04T14:38:42.280687Z",
"structure_string": "Mg1 H2 C1\n1.0\n0.000000 2.511448 2.511448\n2.511448 -0.000000 2.511448\n2.511448 2.511448 -0.000000\nMg H C\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 H\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"H",
"C"
],
"chemical_system": "C-H-Mg",
"density": 2.009107854025341,
"density_atomic": 0.12625756937901686,
"volume": 31.6812688512343,
"volume_molar": 4.769726511938411,
"formula_full": "Mg1 H2 C1",
"formula_reduced": "MgH2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9091322625,
"spacegroup": 216
},
{
"id": "jvasp-118806",
"created_at": "2022-09-04T14:38:49.263726Z",
"updated_at": "2022-09-04T14:38:49.263756Z",
"structure_string": "Na1 Si1\n1.0\n2.690594 0.000000 -0.000000\n0.000000 2.690594 -0.000000\n0.000000 -0.000000 5.828801\nNa Si\n1 1\ndirect\n0.000000 0.000000 -0.123657 Na\n0.000000 0.000000 0.376346 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Si"
],
"chemical_system": "Na-Si",
"density": 2.0099451004889533,
"density_atomic": 0.04739739012571199,
"volume": 42.19641618864255,
"volume_molar": 12.705637892777409,
"formula_full": "Na1 Si1",
"formula_reduced": "NaSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0614637999999998,
"spacegroup": 123
}
]
}