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=3476",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3474",
"results": [
{
"id": "jvasp-21665",
"created_at": "2022-09-04T14:38:34.006675Z",
"updated_at": "2022-09-04T14:38:34.006704Z",
"structure_string": "Ca3 Si4 Ir4\n1.0\n6.106191 0.000000 -2.158864\n-3.053095 5.288117 -2.158864\n0.000000 0.000000 6.476593\nCa Si Ir\n3 4 4\ndirect\n0.500000 0.500000 0.000001 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 -0.000000 0.365340 Si\n0.634659 0.634660 0.634660 Si\n0.365340 -0.000000 0.000000 Si\n-0.000000 0.365340 0.000000 Si\n-0.000000 -0.000000 0.719308 Ir\n0.719308 -0.000000 0.000000 Ir\n0.280691 0.280692 0.280692 Ir\n-0.000000 0.719309 0.000001 Ir\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Ir"
],
"chemical_system": "Ca-Ir-Si",
"density": 7.951658498629778,
"density_atomic": 0.0525986549900163,
"volume": 209.13082287157152,
"volume_molar": 11.44922956897483,
"formula_full": "Ca3 Si4 Ir4",
"formula_reduced": "Ca3(SiIr)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 3.1900500054545446,
"spacegroup": 217
},
{
"id": "jvasp-1384",
"created_at": "2022-09-04T14:36:10.364782Z",
"updated_at": "2022-09-04T14:36:10.364807Z",
"structure_string": "Li1 Pb1\n1.0\n3.549451 0.000000 0.000000\n0.000000 3.549451 0.000000\n0.000000 0.000000 3.549451\nLi Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Pb"
],
"chemical_system": "Li-Pb",
"density": 7.951798537459951,
"density_atomic": 0.04472459744214759,
"volume": 44.718121892255176,
"volume_molar": 13.464941227899912,
"formula_full": "Li1 Pb1",
"formula_reduced": "LiPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.16759041,
"spacegroup": 221
},
{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Tm",
"density": 7.95208543457558,
"density_atomic": 0.07508247376442498,
"volume": 133.18687436132566,
"volume_molar": 8.020701047883383,
"formula_full": "Tm2 Mn4 Si2 C2",
"formula_reduced": "TmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.936043466551725,
"spacegroup": 63
},
{
"id": "jvasp-16026",
"created_at": "2022-09-04T14:36:01.685983Z",
"updated_at": "2022-09-04T14:36:01.686009Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790773 0.026161 5.351971\n1.722453 3.376952 5.351971\n0.042382 0.026161 6.558336\nSr Pu O\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 Pu\n0.641429 0.641429 0.641431 O\n0.358570 0.358570 0.358571 O\n0.107103 0.107103 0.107104 O\n0.892895 0.892895 0.892899 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Pu",
"O"
],
"chemical_system": "O-Pu-Sr",
"density": 7.952308193229831,
"density_atomic": 0.07263062005797678,
"volume": 82.6097862748597,
"volume_molar": 8.291462685012018,
"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.635985051666667,
"spacegroup": 166
},
{
"id": "jvasp-93702",
"created_at": "2022-09-04T14:36:16.311081Z",
"updated_at": "2022-09-04T14:36:16.311091Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790777 0.026195 5.352072\n1.722485 3.376940 5.352072\n0.042438 0.026195 6.558419\nSr Pu O\n1 1 4\ndirect\n0.500001 0.500001 0.499998 Sr\n0.000000 0.000000 0.000000 Pu\n0.107098 0.107098 0.107098 O\n0.892903 0.892905 0.892899 O\n0.358586 0.358586 0.358584 O\n0.641416 0.641417 0.641412 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Pu",
"O"
],
"chemical_system": "O-Pu-Sr",
"density": 7.952397397619758,
"density_atomic": 0.0726314347862286,
"volume": 82.60885961649265,
"volume_molar": 8.291369677226639,
"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6359833850000003,
"spacegroup": 166
},
{
"id": "jvasp-107559",
"created_at": "2022-09-04T14:36:46.678402Z",
"updated_at": "2022-09-04T14:36:46.678412Z",
"structure_string": "Ga1 Ni4 Ge3\n1.0\n6.082921 0.009103 1.100175\n4.867019 3.648853 1.100175\n0.023624 0.007892 4.928632\nGa Ni Ge\n1 4 3\ndirect\n0.427409 0.427408 0.290873 Ga\n0.001520 0.001519 0.999545 Ni\n0.205525 0.205524 0.671664 Ni\n0.792974 0.792971 0.328394 Ni\n0.001315 0.001315 0.500285 Ni\n0.569372 0.569370 0.711476 Ge\n0.185514 0.185513 0.176675 Ge\n0.816376 0.816373 0.821091 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Ge"
],
"chemical_system": "Ga-Ge-Ni",
"density": 7.9534836091534755,
"density_atomic": 0.07334682373144687,
"volume": 109.07084442117517,
"volume_molar": 8.21049972395472,
"formula_full": "Ga1 Ni4 Ge3",
"formula_reduced": "GaNi4Ge3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8526312218749998,
"spacegroup": 8
},
{
"id": "jvasp-71609",
"created_at": "2022-09-04T14:36:17.981490Z",
"updated_at": "2022-09-04T14:36:17.981507Z",
"structure_string": "Be1 Ga2 Ru1\n1.0\n-1.833333 1.833333 3.874935\n1.833333 -1.833333 3.874935\n1.833333 1.833333 -3.874935\nBe Ga Ru\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.000000 Ga\n0.250000 0.750000 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Ru"
],
"chemical_system": "Be-Ga-Ru",
"density": 7.953560246693821,
"density_atomic": 0.07678084131640546,
"volume": 52.09632938920839,
"volume_molar": 7.843285716528444,
"formula_full": "Be1 Ga2 Ru1",
"formula_reduced": "BeGa2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3373803125,
"spacegroup": 139
},
{
"id": "jvasp-35004",
"created_at": "2022-09-04T14:37:29.962126Z",
"updated_at": "2022-09-04T14:37:29.962151Z",
"structure_string": "Mn2 Co2 Sb2\n1.0\n4.040125 0.000000 0.000000\n-0.000000 4.040125 -0.000000\n0.000000 0.000000 6.027659\nMn Co Sb\n2 2 2\ndirect\n0.499999 0.000000 0.254881 Mn\n0.000000 0.499999 0.745119 Mn\n0.499999 0.499999 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.499999 0.000000 0.718774 Sb\n0.000000 0.499999 0.281226 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Sb"
],
"chemical_system": "Co-Mn-Sb",
"density": 7.953781975532342,
"density_atomic": 0.06098358772065976,
"volume": 98.38712716417217,
"volume_molar": 9.875018812577741,
"formula_full": "Mn2 Co2 Sb2",
"formula_reduced": "MnCoSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7101280804597705,
"spacegroup": 129
},
{
"id": "jvasp-99970",
"created_at": "2022-09-04T14:36:45.536001Z",
"updated_at": "2022-09-04T14:36:45.536018Z",
"structure_string": "La1 Mn1 Ni4\n1.0\n5.100928 0.000000 0.000000\n-2.550464 4.417533 -0.000000\n0.000000 -0.000000 3.970782\nLa Mn Ni\n1 1 4\ndirect\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.329358 0.164679 0.500000 Ni\n0.835321 0.164679 0.500000 Ni\n0.835322 0.670642 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Mn",
"Ni"
],
"chemical_system": "La-Mn-Ni",
"density": 7.954512447362254,
"density_atomic": 0.0670573226900777,
"volume": 89.4756867602739,
"volume_molar": 8.980586337800633,
"formula_full": "La1 Mn1 Ni4",
"formula_reduced": "LaMnNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8600319735632185,
"spacegroup": 187
},
{
"id": "jvasp-14851",
"created_at": "2022-09-04T14:35:45.771836Z",
"updated_at": "2022-09-04T14:35:45.771864Z",
"structure_string": "Th2 Al2\n1.0\n4.215055 0.000000 0.000000\n0.000000 4.160098 -1.605906\n-0.000000 -0.008107 6.170313\nTh Al\n2 2\ndirect\n0.749999 0.145489 0.290980 Th\n0.250000 0.854510 0.709019 Th\n0.749999 0.429208 0.858415 Al\n0.250000 0.570792 0.141584 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 7.9545944335177206,
"density_atomic": 0.036988465461941816,
"volume": 108.14182070125837,
"volume_molar": 16.281131657641495,
"formula_full": "Th2 Al2",
"formula_reduced": "ThAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.5123742,
"spacegroup": 63
},
{
"id": "jvasp-40058",
"created_at": "2022-09-04T14:37:46.176436Z",
"updated_at": "2022-09-04T14:37:46.176458Z",
"structure_string": "Li2 Yb1 Pb1\n1.0\n0.000000 3.452041 3.452041\n3.452041 -0.000000 3.452041\n3.452041 3.452041 -0.000000\nYb Li Pb\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Li",
"Pb"
],
"chemical_system": "Li-Pb-Yb",
"density": 7.954665907247593,
"density_atomic": 0.048618567660544454,
"volume": 82.273094261601,
"volume_molar": 12.386503860102737,
"formula_full": "Li2 Yb1 Pb1",
"formula_reduced": "Li2YbPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.194955,
"spacegroup": 225
},
{
"id": "jvasp-51347",
"created_at": "2022-09-04T14:36:50.306510Z",
"updated_at": "2022-09-04T14:36:50.306541Z",
"structure_string": "Yb2 H2 O4\n1.0\n0.000000 4.132361 0.212263\n3.565530 0.000000 0.000000\n0.000000 -2.099957 -5.946356\nYb H O\n2 2 4\ndirect\n0.673128 0.750000 0.771780 Yb\n0.326871 0.250000 0.228221 Yb\n-0.027460 0.750000 0.413498 H\n0.027460 0.250000 0.586503 H\n0.298370 0.750000 0.969274 O\n0.701630 0.250000 0.030727 O\n0.214298 0.750000 0.424930 O\n0.785702 0.250000 0.575071 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"H",
"O"
],
"chemical_system": "H-O-Yb",
"density": 7.954666666263037,
"density_atomic": 0.0929966130590964,
"volume": 86.02463828350666,
"volume_molar": 6.475656007142024,
"formula_full": "Yb2 H2 O4",
"formula_reduced": "YbHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1380644250000005,
"spacegroup": 11
}
]
}