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=1001",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=999",
"results": [
{
"id": "jvasp-106267",
"created_at": "2022-09-04T14:38:38.566419Z",
"updated_at": "2022-09-04T14:38:38.566441Z",
"structure_string": "Nd2 Tl1 Cd1\n1.0\n4.732067 0.000000 2.732060\n1.577355 4.461436 2.732060\n0.000000 0.000000 5.464122\nNd Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750001 0.750001 0.749999 Nd\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.499999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Cd"
],
"chemical_system": "Cd-Nd-Tl",
"density": 8.712810366755756,
"density_atomic": 0.03467480691901415,
"volume": 115.35752771002667,
"volume_molar": 17.36748173988453,
"formula_full": "Nd2 Tl1 Cd1",
"formula_reduced": "Nd2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3712753750000001,
"spacegroup": 225
},
{
"id": "jvasp-114400",
"created_at": "2022-09-04T14:38:41.185859Z",
"updated_at": "2022-09-04T14:38:41.185877Z",
"structure_string": "Sr1 Ta1 O2\n1.0\n3.118957 -0.000000 -0.000000\n0.000000 3.118957 0.000000\n0.000000 0.000000 6.158749\nSr Ta O\n1 1 2\ndirect\n0.000000 0.000000 0.281308 Sr\n0.500000 0.500000 0.784092 Ta\n0.000000 0.000000 0.825610 O\n0.500000 0.500000 0.108990 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 8.330645466400334,
"density_atomic": 0.06676497825727823,
"volume": 59.911649856097256,
"volume_molar": 9.019909714931286,
"formula_full": "Sr1 Ta1 O2",
"formula_reduced": "SrTaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2284606275,
"spacegroup": 99
},
{
"id": "jvasp-106345",
"created_at": "2022-09-04T14:38:41.274812Z",
"updated_at": "2022-09-04T14:38:41.274853Z",
"structure_string": "Nb2 C1 N1\n1.0\n3.047130 0.001113 4.599303\n1.386166 2.713587 4.599303\n0.001817 0.001113 5.517117\nNb C N\n2 1 1\ndirect\n0.256214 0.256214 0.256213 Nb\n0.743788 0.743785 0.743785 Nb\n0.000000 0.000000 0.000000 C\n0.500001 0.500000 0.499999 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"C",
"N"
],
"chemical_system": "C-N-Nb",
"density": 7.717344812195109,
"density_atomic": 0.08775886638343748,
"volume": 45.57944017329411,
"volume_molar": 6.862145112139398,
"formula_full": "Nb2 C1 N1",
"formula_reduced": "Nb2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3300105125,
"spacegroup": 166
},
{
"id": "jvasp-37459",
"created_at": "2022-09-04T14:38:30.516482Z",
"updated_at": "2022-09-04T14:38:30.516502Z",
"structure_string": "Dy1 Y1 Rh2\n1.0\n0.000000 3.417843 3.417843\n3.417843 -0.000000 3.417843\n3.417843 3.417843 0.000000\nDy Y Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.749999 0.749999 0.749999 Y\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Y",
"Rh"
],
"chemical_system": "Dy-Rh-Y",
"density": 9.507908661716113,
"density_atomic": 0.05009261081595289,
"volume": 79.85209664348595,
"volume_molar": 12.0220141492049,
"formula_full": "Dy1 Y1 Rh2",
"formula_reduced": "DyYRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2912244875,
"spacegroup": 225
},
{
"id": "jvasp-38589",
"created_at": "2022-09-04T14:38:32.829895Z",
"updated_at": "2022-09-04T14:38:32.829920Z",
"structure_string": "Li1 La3\n1.0\n5.091215 0.000000 0.000000\n0.000000 5.091215 0.000000\n-0.000000 0.000000 5.091215\nLi La\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"La"
],
"chemical_system": "La-Li",
"density": 5.33088841171854,
"density_atomic": 0.03031067994520962,
"volume": 131.96668656824937,
"volume_molar": 19.868049053619977,
"formula_full": "Li1 La3",
"formula_reduced": "LiLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6222862500000002,
"spacegroup": 221
},
{
"id": "jvasp-114756",
"created_at": "2022-09-04T14:38:41.145638Z",
"updated_at": "2022-09-04T14:38:41.145664Z",
"structure_string": "Rb1 Ag1 Te2\n1.0\n-2.479856 2.479856 5.650922\n2.479856 -2.479856 5.650922\n2.479856 2.479856 -5.650922\nRb Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750001 0.250000 0.500001 Ag\n0.372806 0.372806 0.000000 Te\n0.627193 0.627193 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Te"
],
"chemical_system": "Ag-Rb-Te",
"density": 5.358141434453242,
"density_atomic": 0.028775823515986846,
"volume": 139.00557868579293,
"volume_molar": 20.927779031777522,
"formula_full": "Rb1 Ag1 Te2",
"formula_reduced": "RbAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.25177007,
"spacegroup": 119
},
{
"id": "jvasp-55213",
"created_at": "2022-09-04T14:38:34.603752Z",
"updated_at": "2022-09-04T14:38:34.603780Z",
"structure_string": "Pu3 Ge1\n1.0\n4.530015 -0.000000 -0.000000\n-0.000000 4.530015 -0.000000\n-0.000000 -0.000000 4.530015\nPu Ge\n3 1\ndirect\n0.499999 0.000000 0.499999 Pu\n0.000000 0.499999 0.499999 Pu\n0.499999 0.499999 0.000000 Pu\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Ge"
],
"chemical_system": "Ge-Pu",
"density": 14.373144624429106,
"density_atomic": 0.043028981965630195,
"volume": 92.96060044355774,
"volume_molar": 13.995545525130579,
"formula_full": "Pu3 Ge1",
"formula_reduced": "Pu3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 6.0614689875,
"spacegroup": 221
},
{
"id": "jvasp-114559",
"created_at": "2022-09-04T14:38:41.131528Z",
"updated_at": "2022-09-04T14:38:41.131551Z",
"structure_string": "Ba2 Cl2\n1.0\n5.074726 0.069283 -0.425495\n0.112848 -5.051723 0.503956\n-0.706971 4.296443 -7.670207\nBa Cl\n2 2\ndirect\n0.934031 0.773853 -0.039304 Ba\n0.434075 0.778885 0.467263 Ba\n0.934001 0.526910 0.214820 Cl\n0.434109 0.025824 0.213161 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.068616341237087,
"density_atomic": 0.02139094750752645,
"volume": 186.99498928659386,
"volume_molar": 28.152753672464005,
"formula_full": "Ba2 Cl2",
"formula_reduced": "BaCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0329,
"spacegroup": 129
},
{
"id": "jvasp-116208",
"created_at": "2022-09-04T14:38:41.127174Z",
"updated_at": "2022-09-04T14:38:41.127199Z",
"structure_string": "In2 H2\n1.0\n3.444633 -0.000000 0.000000\n-0.000000 3.444633 -0.000000\n0.000000 -0.000000 5.603640\nIn H\n2 2\ndirect\n0.000000 0.000000 0.258059 In\n0.500000 0.500000 0.741941 In\n0.000000 0.000000 0.887193 H\n0.500000 0.500000 0.112807 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"H"
],
"chemical_system": "H-In",
"density": 5.78533862730048,
"density_atomic": 0.06015944885905295,
"volume": 66.48997083353548,
"volume_molar": 10.010299087196131,
"formula_full": "In2 H2",
"formula_reduced": "InH",
"formula_anonymous": "AB",
"energy_above_hull": 0.864539985,
"spacegroup": 129
},
{
"id": "jvasp-114467",
"created_at": "2022-09-04T14:38:41.124750Z",
"updated_at": "2022-09-04T14:38:41.124783Z",
"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.9463561238734917,
"density_atomic": 0.028330127474420944,
"volume": 141.192446225721,
"volume_molar": 21.257019635500566,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9394137245833334,
"spacegroup": 189
},
{
"id": "jvasp-17586",
"created_at": "2022-09-04T14:38:30.516988Z",
"updated_at": "2022-09-04T14:38:30.517015Z",
"structure_string": "Ca2 Pb2\n1.0\n4.563205 0.000000 0.000000\n0.000000 5.065384 0.000000\n0.000000 0.000000 5.065384\nCa Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500001 0.000000 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb",
"density": 7.014065940362039,
"density_atomic": 0.03416372860293201,
"volume": 117.08323896639054,
"volume_molar": 17.627293642308018,
"formula_full": "Ca2 Pb2",
"formula_reduced": "CaPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-115908",
"created_at": "2022-09-04T14:38:41.080933Z",
"updated_at": "2022-09-04T14:38:41.080961Z",
"structure_string": "P1 Cl3\n1.0\n6.249110 -0.000000 -0.000000\n-3.124555 5.411888 -0.000000\n0.000000 -0.000000 3.138527\nP Cl\n1 3\ndirect\n0.000000 0.000000 0.000000 P\n0.338368 0.000000 0.000000 Cl\n1.000000 0.338369 0.000000 Cl\n0.661631 0.661632 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.148475537938871,
"density_atomic": 0.0376848813784313,
"volume": 106.14336183871802,
"volume_molar": 15.98025664330931,
"formula_full": "P1 Cl3",
"formula_reduced": "PCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7598919256250001,
"spacegroup": 189
}
]
}