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=volume&page=1283",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1281",
"results": [
{
"id": "jvasp-113439",
"created_at": "2022-09-04T14:38:47.974780Z",
"updated_at": "2022-09-04T14:38:47.974796Z",
"structure_string": "Li1 B1 O1\n1.0\n3.941911 -0.000000 0.000000\n-0.000000 3.941911 -0.000000\n-0.000000 0.000000 5.204143\nLi B O\n1 1 1\ndirect\n0.000000 0.000000 0.682046 Li\n0.000000 0.000000 0.259037 B\n0.000000 0.000000 0.021580 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 0.6930714970032024,
"density_atomic": 0.037098675431000525,
"volume": 80.86542080403036,
"volume_molar": 16.23276488995011,
"formula_full": "Li1 B1 O1",
"formula_reduced": "LiBO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8518886944444448,
"spacegroup": 99
},
{
"id": "jvasp-40081",
"created_at": "2022-09-04T14:37:46.294613Z",
"updated_at": "2022-09-04T14:37:46.294626Z",
"structure_string": "Yb2 Ag1 Rh1\n1.0\n-0.000000 3.432283 3.432283\n3.432283 0.000000 3.432283\n3.432283 3.432283 0.000000\nYb Ag Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.250001 0.250001 0.250001 Ag\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh-Yb",
"density": 11.434335835239839,
"density_atomic": 0.04946303125630501,
"volume": 80.86847688879001,
"volume_molar": 12.175033771777507,
"formula_full": "Yb2 Ag1 Rh1",
"formula_reduced": "Yb2AgRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.103702915,
"spacegroup": 225
},
{
"id": "jvasp-35795",
"created_at": "2022-09-04T14:37:29.529926Z",
"updated_at": "2022-09-04T14:37:29.529951Z",
"structure_string": "Ce1 Bi1 Pt1\n1.0\n3.432303 3.432303 0.000000\n3.432303 0.000000 -3.432303\n0.000000 3.432303 -3.432303\nCe Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ce",
"Bi",
"Pt"
],
"chemical_system": "Bi-Ce-Pt",
"density": 11.173909191227395,
"density_atomic": 0.03709662494952965,
"volume": 80.86989056501857,
"volume_molar": 16.23366214094459,
"formula_full": "Ce1 Bi1 Pt1",
"formula_reduced": "CeBiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3762004,
"spacegroup": 216
},
{
"id": "jvasp-93511",
"created_at": "2022-09-04T14:35:46.213332Z",
"updated_at": "2022-09-04T14:35:46.213366Z",
"structure_string": "Cr1 F5\n1.0\n2.798938 -0.000000 1.029283\n1.074206 5.166495 1.399132\n-0.413127 0.015114 5.443644\nCr F\n1 5\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500002 0.821605 0.178394 F\n0.500000 0.178394 0.821605 F\n0.785058 0.214942 0.214942 F\n0.214944 0.785056 0.785056 F\n0.000000 0.499999 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.018046512578805,
"density_atomic": 0.07419008319798152,
"volume": 80.87334238443394,
"volume_molar": 8.11717752617892,
"formula_full": "Cr1 F5",
"formula_reduced": "CrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4397098020833332,
"spacegroup": 71
},
{
"id": "jvasp-101014",
"created_at": "2022-09-04T14:36:41.029108Z",
"updated_at": "2022-09-04T14:36:41.029134Z",
"structure_string": "Sc2 Cd1 Ga1\n1.0\n4.203838 -0.000000 2.427087\n1.401279 3.963416 2.427087\n-0.000000 -0.000000 4.854174\nSc Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750001 0.750000 Sc\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sc",
"density": 5.585476019395644,
"density_atomic": 0.04945714264965762,
"volume": 80.87810548084082,
"volume_molar": 12.176483390193773,
"formula_full": "Sc2 Cd1 Ga1",
"formula_reduced": "Sc2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.59739314375,
"spacegroup": 225
},
{
"id": "jvasp-9141",
"created_at": "2022-09-04T14:38:14.911573Z",
"updated_at": "2022-09-04T14:38:14.911599Z",
"structure_string": "C6 N8\n1.0\n4.448794 0.000000 -1.572886\n-2.224397 3.852769 -1.572886\n-0.000000 -0.000000 4.718658\nC N\n6 8\ndirect\n0.250000 0.125000 0.875000 C\n0.874999 0.250000 0.124999 C\n0.624999 0.750000 0.374999 C\n0.374999 0.625000 0.749999 C\n0.124999 0.875000 0.249999 C\n0.749999 0.375000 0.624999 C\n0.567145 0.567146 0.567144 N\n0.432854 0.500000 -0.000001 N\n-0.000000 0.432855 0.500000 N\n0.500000 0.000000 0.432854 N\n-0.000000 0.932855 0.499999 N\n0.500000 0.000000 0.932854 N\n0.932853 0.500000 -0.000002 N\n0.067145 0.067146 0.067145 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.780168036728465,
"density_atomic": 0.17309888359570955,
"volume": 80.87862676629652,
"volume_molar": 3.479017677586724,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 6.401989,
"spacegroup": 220
},
{
"id": "jvasp-105817",
"created_at": "2022-09-04T14:36:19.833868Z",
"updated_at": "2022-09-04T14:36:19.833897Z",
"structure_string": "Mg1 Ge3\n1.0\n3.871754 0.032621 -4.536476\n-0.419170 3.541322 -4.780636\n-0.019355 -0.032621 5.964035\nMg Ge\n1 3\ndirect\n0.213880 0.500000 0.713879 Mg\n0.731006 0.773933 0.957071 Ge\n0.183140 0.226067 0.957073 Ge\n0.705300 -0.000000 0.705300 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 4.97300794427961,
"density_atomic": 0.04945509976492845,
"volume": 80.88144638293981,
"volume_molar": 12.17698637476141,
"formula_full": "Mg1 Ge3",
"formula_reduced": "MgGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5978216649999999,
"spacegroup": 44
},
{
"id": "jvasp-15213",
"created_at": "2022-09-04T14:37:15.148919Z",
"updated_at": "2022-09-04T14:37:15.148950Z",
"structure_string": "Sm1 B2 Ru3\n1.0\n2.770115 -4.797980 0.000000\n2.770115 4.797980 -0.000000\n0.000000 -0.000000 3.042935\nSm B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.500000 0.499999 Ru\n0.500000 0.000000 0.499999 Ru\n0.500001 0.500001 0.499999 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"B",
"Ru"
],
"chemical_system": "B-Ru-Sm",
"density": 9.755270461585226,
"density_atomic": 0.0741775264211161,
"volume": 80.8870326294944,
"volume_molar": 8.118551602558803,
"formula_full": "Sm1 B2 Ru3",
"formula_reduced": "SmB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.363850923611111,
"spacegroup": 191
},
{
"id": "jvasp-100444",
"created_at": "2022-09-04T14:36:40.054608Z",
"updated_at": "2022-09-04T14:36:40.054632Z",
"structure_string": "Sc2 Al2 N4\n1.0\n3.979935 0.000000 -1.846476\n-0.856913 3.886105 -1.847010\n0.005073 0.007263 5.223390\nSc Al N\n2 2 4\ndirect\n0.625001 0.874999 0.750001 Sc\n0.374999 0.124999 0.249998 Sc\n0.124999 0.374998 0.750000 Al\n0.875002 0.625000 0.249999 Al\n0.362729 0.612728 0.225457 N\n0.637271 0.387270 0.774541 N\n0.887272 0.137270 0.274541 N\n0.112729 0.862728 0.725458 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Al",
"N"
],
"chemical_system": "Al-N-Sc",
"density": 4.103727219310011,
"density_atomic": 0.09890150134997905,
"volume": 80.88855973672936,
"volume_molar": 6.089028657603159,
"formula_full": "Sc2 Al2 N4",
"formula_reduced": "ScAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2257486375000006,
"spacegroup": 141
},
{
"id": "jvasp-121221",
"created_at": "2022-09-04T14:38:55.083812Z",
"updated_at": "2022-09-04T14:38:55.083839Z",
"structure_string": "Mg1 Pb1 O1\n1.0\n3.337593 0.000000 -0.000000\n0.000000 3.337593 -0.000000\n-0.000000 -0.000000 7.261461\nMg Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.554479 Mg\n0.000000 0.000000 0.086789 Pb\n0.000000 0.000000 0.804578 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Pb",
"O"
],
"chemical_system": "Mg-O-Pb",
"density": 5.080907172559422,
"density_atomic": 0.03708775059217587,
"volume": 80.88924111328791,
"volume_molar": 16.237546531793296,
"formula_full": "Mg1 Pb1 O1",
"formula_reduced": "MgPbO",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-15986",
"created_at": "2022-09-04T14:36:16.917741Z",
"updated_at": "2022-09-04T14:36:16.917768Z",
"structure_string": "Zr2 Si2 O2\n1.0\n3.318019 0.000000 -0.000000\n0.000000 3.318019 0.000000\n-0.000000 0.000000 7.347676\nZr Si O\n2 2 2\ndirect\n0.500000 0.000000 0.689536 Zr\n0.000000 0.500000 0.310464 Zr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.389450 O\n0.000000 0.500000 0.610551 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.555174706732832,
"density_atomic": 0.07417260219076019,
"volume": 80.89240262285729,
"volume_molar": 8.119090583490662,
"formula_full": "Zr2 Si2 O2",
"formula_reduced": "ZrSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2803788666666667,
"spacegroup": 129
},
{
"id": "jvasp-58388",
"created_at": "2022-09-04T14:37:30.312536Z",
"updated_at": "2022-09-04T14:37:30.312552Z",
"structure_string": "Al2 B2 O6\n1.0\n4.071235 -0.002963 3.380454\n1.585241 3.749929 3.380454\n-0.004473 -0.002963 5.291730\nAl B O\n2 2 6\ndirect\n0.499999 0.500001 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.750001 0.749999 B\n0.250000 0.250000 0.250000 B\n0.749999 0.057744 0.442257 O\n0.442257 0.750000 0.057742 O\n0.942256 0.557744 0.249999 O\n0.250000 0.942258 0.557741 O\n0.557742 0.250001 0.942256 O\n0.057743 0.442258 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O",
"density": 3.522090037456628,
"density_atomic": 0.12361778397305574,
"volume": 80.89450950018359,
"volume_molar": 4.8715812292126275,
"formula_full": "Al2 B2 O6",
"formula_reduced": "AlBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2612131766666668,
"spacegroup": 167
}
]
}