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=-nsites&page=3460",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3458",
"results": [
{
"id": "jvasp-74964",
"created_at": "2022-09-04T14:36:10.631050Z",
"updated_at": "2022-09-04T14:36:10.631079Z",
"structure_string": "Be2 Co1 Si1\n1.0\n2.865468 0.000000 0.000000\n0.000000 2.865468 -0.000000\n0.000000 -0.000000 4.752629\nBe Co Si\n2 1 1\ndirect\n0.000000 0.000000 0.019461 Be\n0.500000 0.500000 0.238645 Be\n0.000000 0.000000 0.498458 Co\n0.500000 0.500000 0.743437 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Si"
],
"chemical_system": "Be-Co-Si",
"density": 4.4698342461211595,
"density_atomic": 0.10250261662053227,
"volume": 39.02339405449637,
"volume_molar": 5.875109298228106,
"formula_full": "Be2 Co1 Si1",
"formula_reduced": "Be2CoSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.482880425,
"spacegroup": 99
},
{
"id": "jvasp-22673",
"created_at": "2022-09-04T14:36:10.155042Z",
"updated_at": "2022-09-04T14:36:10.155090Z",
"structure_string": "B2 N2\n1.0\n2.511976 0.000000 -0.000000\n-1.255989 2.175436 0.000000\n0.000000 -0.000000 6.558615\nB N\n2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.500000 B\n0.333334 0.666668 0.000000 N\n0.666668 0.333334 0.500000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.299676190186781,
"density_atomic": 0.11160561796227074,
"volume": 35.840489690691335,
"volume_molar": 5.395911845616802,
"formula_full": "B2 N2",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.513047916666667,
"spacegroup": 187
},
{
"id": "jvasp-71342",
"created_at": "2022-09-04T14:36:10.654553Z",
"updated_at": "2022-09-04T14:36:10.654580Z",
"structure_string": "Ti1 Be2 Br1\n1.0\n3.398415 0.000000 0.000000\n-0.000000 3.398415 0.000000\n-0.000000 -0.000000 5.244224\nTi Be Br\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ti\n0.000000 0.000000 0.682885 Be\n0.000000 0.000000 0.317114 Be\n0.500001 0.500001 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ti",
"density": 3.9972264665908015,
"density_atomic": 0.06604286934590312,
"volume": 60.566720368398634,
"volume_molar": 9.11853288575139,
"formula_full": "Ti1 Be2 Br1",
"formula_reduced": "TiBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.942563659583333,
"spacegroup": 123
},
{
"id": "jvasp-102973",
"created_at": "2022-09-04T14:36:36.564690Z",
"updated_at": "2022-09-04T14:36:36.564709Z",
"structure_string": "Ta2 Os1 Ru1\n1.0\n3.900588 -0.000000 2.252006\n1.300196 3.677510 2.252006\n-0.000000 -0.000000 4.504011\nTa Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750000 0.750001 Ta\n0.500001 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Os",
"Ru"
],
"chemical_system": "Os-Ru-Ta",
"density": 16.788390765610956,
"density_atomic": 0.06191225268169655,
"volume": 64.60756678592865,
"volume_molar": 9.72689653364908,
"formula_full": "Ta2 Os1 Ru1",
"formula_reduced": "Ta2OsRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.897540975,
"spacegroup": 225
},
{
"id": "jvasp-74376",
"created_at": "2022-09-04T14:36:07.429693Z",
"updated_at": "2022-09-04T14:36:07.429727Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n2.831063 0.000000 0.000000\n0.000000 2.831063 -0.000000\n0.000000 -0.000000 5.399978\nMn Be Ir\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Mn\n0.000000 0.000000 0.764931 Be\n0.000000 0.000000 0.235069 Be\n0.499999 0.499999 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 10.174143003524629,
"density_atomic": 0.09242063180066613,
"volume": 43.28037930564298,
"volume_molar": 6.516013408119328,
"formula_full": "Mn1 Be2 Ir1",
"formula_reduced": "MnBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.051662635344827,
"spacegroup": 123
},
{
"id": "jvasp-8235",
"created_at": "2022-09-04T14:36:36.574922Z",
"updated_at": "2022-09-04T14:36:36.574931Z",
"structure_string": "Al1 Cu1 O2\n1.0\n3.051593 0.184470 5.087170\n1.548771 2.635823 5.087170\n0.300901 0.184470 5.924608\nAl Cu O\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Al\n0.000000 0.000000 0.000000 Cu\n0.889991 0.889991 0.889995 O\n0.110007 0.110007 0.110008 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.986880584102925,
"density_atomic": 0.09804160373778491,
"volume": 40.79900621269023,
"volume_molar": 6.142433957023377,
"formula_full": "Al1 Cu1 O2",
"formula_reduced": "AlCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9424900625,
"spacegroup": 166
},
{
"id": "jvasp-1561",
"created_at": "2022-09-04T14:36:36.576566Z",
"updated_at": "2022-09-04T14:36:36.576585Z",
"structure_string": "Na1 Sc1 O2\n1.0\n3.044334 -0.001681 4.845139\n1.394569 2.706132 4.845139\n-0.002759 -0.001681 5.722178\nNa Sc O\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sc\n0.735080 0.735081 0.735082 O\n0.264919 0.264919 0.264920 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"O"
],
"chemical_system": "Na-O-Sc",
"density": 3.5158053771094235,
"density_atomic": 0.08473774480341033,
"volume": 47.20446607683401,
"volume_molar": 7.1067984803834845,
"formula_full": "Na1 Sc1 O2",
"formula_reduced": "NaScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9013403125,
"spacegroup": 166
},
{
"id": "jvasp-71040",
"created_at": "2022-09-04T14:36:10.648255Z",
"updated_at": "2022-09-04T14:36:10.648281Z",
"structure_string": "Y1 Hf1 Be2\n1.0\n4.632571 0.000000 0.000000\n0.000000 4.632571 0.000000\n0.000000 0.000000 3.199878\nY Hf Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hf",
"Be"
],
"chemical_system": "Be-Hf-Y",
"density": 6.901702517389632,
"density_atomic": 0.05824818568418564,
"volume": 68.67166681701467,
"volume_molar": 10.338761094897087,
"formula_full": "Y1 Hf1 Be2",
"formula_reduced": "YHfBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0318926625,
"spacegroup": 123
},
{
"id": "jvasp-101388",
"created_at": "2022-09-04T14:36:39.941111Z",
"updated_at": "2022-09-04T14:36:39.941131Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n3.731747 0.000000 2.154525\n1.243916 3.518324 2.154525\n0.000000 0.000000 4.309049\nAl Tc Pd\n2 1 1\ndirect\n0.750002 0.749999 0.750001 Al\n0.250001 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 0.499999 0.500001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Pd"
],
"chemical_system": "Al-Pd-Tc",
"density": 7.583744757752038,
"density_atomic": 0.07070181055166655,
"volume": 56.57563743826521,
"volume_molar": 8.517661305998972,
"formula_full": "Al2 Tc1 Pd1",
"formula_reduced": "Al2TcPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4655682,
"spacegroup": 225
},
{
"id": "jvasp-65541",
"created_at": "2022-09-04T14:36:10.644668Z",
"updated_at": "2022-09-04T14:36:10.644703Z",
"structure_string": "Ba1 In1 Pb2\n1.0\n4.220175 0.000000 0.000000\n0.000000 4.220175 0.000000\n-0.000000 -0.000000 7.583368\nBa In Pb\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ba\n0.499999 0.499999 0.500000 In\n0.000000 0.000000 0.704919 Pb\n0.000000 0.000000 0.295081 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 8.195123824755543,
"density_atomic": 0.029616718592360612,
"volume": 135.05885155797668,
"volume_molar": 20.333585374152022,
"formula_full": "Ba1 In1 Pb2",
"formula_reduced": "BaInPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0248878037499999,
"spacegroup": 123
},
{
"id": "jvasp-101465",
"created_at": "2022-09-04T14:36:36.603641Z",
"updated_at": "2022-09-04T14:36:36.603671Z",
"structure_string": "Ce1 Th1 S2\n1.0\n4.036389 0.000000 0.000000\n0.000000 4.036389 0.000000\n-0.000000 -0.000000 5.701500\nCe Th S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Th",
"S"
],
"chemical_system": "Ce-S-Th",
"density": 7.799078413599586,
"density_atomic": 0.0430610717441339,
"volume": 92.89132476236868,
"volume_molar": 13.985115827546444,
"formula_full": "Ce1 Th1 S2",
"formula_reduced": "CeThS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8154827750000004,
"spacegroup": 123
},
{
"id": "jvasp-100035",
"created_at": "2022-09-04T14:36:36.605510Z",
"updated_at": "2022-09-04T14:36:36.605523Z",
"structure_string": "Ba1 Ca3\n1.0\n3.937736 0.005579 12.638858\n1.927924 3.433498 12.638858\n0.009516 0.005579 13.238067\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.245902 0.245903 0.245902 Ca\n0.500000 0.500001 0.500000 Ca\n0.754098 0.754099 0.754097 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.398911831838631,
"density_atomic": 0.02243598173194562,
"volume": 178.28504443398498,
"volume_molar": 26.841440824607805,
"formula_full": "Ba1 Ca3",
"formula_reduced": "BaCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0091799999999999,
"spacegroup": 166
}
]
}