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=-elements&page=220",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=218",
"results": [
{
"id": "jvasp-109367",
"created_at": "2022-09-04T14:38:27.689616Z",
"updated_at": "2022-09-04T14:38:27.689644Z",
"structure_string": "Sc1 Sb1 Pb2 O6\n1.0\n5.036915 0.000091 -2.864295\n-1.687901 4.714858 -2.914757\n0.019158 -0.000091 5.794337\nSc Sb Pb O\n1 1 2 6\ndirect\n0.983072 -0.000000 0.983072 Sc\n0.495420 0.500000 0.995420 Sb\n0.202547 0.755331 0.447214 Pb\n0.691884 0.244669 0.447214 Pb\n0.268953 0.243281 0.512234 O\n0.268953 0.756719 0.025671 O\n0.762895 0.744858 0.018035 O\n0.751753 0.736243 0.487995 O\n0.751753 0.263757 0.015509 O\n0.273177 0.255142 0.018035 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sc",
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb-Sc",
"density": 8.15567366735522,
"density_atomic": 0.07253540360142133,
"volume": 137.8637121115302,
"volume_molar": 8.302346800317515,
"formula_full": "Sc1 Sb1 Pb2 O6",
"formula_reduced": "ScSb(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.091817399,
"spacegroup": 44
},
{
"id": "jvasp-103427",
"created_at": "2022-09-04T14:36:40.514204Z",
"updated_at": "2022-09-04T14:36:40.514223Z",
"structure_string": "Sc1 Nb1 Pb2 O6\n1.0\n5.022641 0.000000 2.899823\n1.674214 4.735390 2.899823\n-0.000000 -0.000000 5.799645\nSc Nb Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Pb\n0.749999 0.750000 0.750000 Pb\n0.254711 0.254711 0.745290 O\n0.745288 0.745289 0.254711 O\n0.254710 0.745289 0.254711 O\n0.745289 0.254711 0.745289 O\n0.745289 0.254711 0.254711 O\n0.254710 0.745289 0.745290 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sc",
"Nb",
"Pb",
"O"
],
"chemical_system": "Nb-O-Pb-Sc",
"density": 7.803836197074964,
"density_atomic": 0.07249544146954419,
"volume": 137.93970761873442,
"volume_molar": 8.306923356732632,
"formula_full": "Sc1 Nb1 Pb2 O6",
"formula_reduced": "ScNb(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5174977290000005,
"spacegroup": 225
},
{
"id": "jvasp-23790",
"created_at": "2022-09-04T14:37:53.131855Z",
"updated_at": "2022-09-04T14:37:53.131881Z",
"structure_string": "Sc4 Fe2 B4 Ir10\n1.0\n9.287181 0.000000 0.000000\n0.000000 9.287181 0.000000\n0.000000 -0.000000 3.101706\nSc Fe B Ir\n4 2 4 10\ndirect\n0.176590 0.676590 0.000000 Sc\n0.823410 0.323410 0.000000 Sc\n0.323410 0.176590 0.000000 Sc\n0.676590 0.823410 0.000000 Sc\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.124449 0.375551 0.000000 B\n0.624449 0.124449 0.000000 B\n0.375551 0.875551 0.000000 B\n0.875551 0.624449 0.000000 B\n0.214563 0.928912 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n0.714563 0.571088 0.500001 Ir\n0.571088 0.285437 0.500001 Ir\n0.428912 0.714563 0.500001 Ir\n0.285437 0.428912 0.500001 Ir\n0.000000 0.500000 0.500001 Ir\n0.928912 0.785437 0.500001 Ir\n0.785437 0.071088 0.500001 Ir\n0.071088 0.214563 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Fe",
"B",
"Ir"
],
"chemical_system": "B-Fe-Ir-Sc",
"density": 14.008714510964554,
"density_atomic": 0.07475866650452498,
"volume": 267.5275113259202,
"volume_molar": 8.055441651885928,
"formula_full": "Sc4 Fe2 B4 Ir10",
"formula_reduced": "Sc2FeB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.817748666666667,
"spacegroup": 127
},
{
"id": "jvasp-105415",
"created_at": "2022-09-04T14:36:31.302966Z",
"updated_at": "2022-09-04T14:36:31.303000Z",
"structure_string": "Sc1 Co1 Ni1 Sn1\n1.0\n3.804537 -0.000000 2.196550\n1.268179 3.586952 2.196550\n-0.000000 -0.000000 4.393101\nSc Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750000 0.749999 Co\n0.250000 0.250000 0.250000 Ni\n0.500001 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sc",
"Co",
"Ni",
"Sn"
],
"chemical_system": "Co-Ni-Sc-Sn",
"density": 7.791277915763844,
"density_atomic": 0.06672082783239427,
"volume": 59.951294520028746,
"volume_molar": 9.025878358595744,
"formula_full": "Sc1 Co1 Ni1 Sn1",
"formula_reduced": "ScCoNiSn",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.7138550625000004,
"spacegroup": 216
},
{
"id": "jvasp-120469",
"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Be",
"B",
"Ir"
],
"chemical_system": "B-Be-Ir-Sc",
"density": 13.887940885463935,
"density_atomic": 0.0773231669985294,
"volume": 258.6546927181653,
"volume_molar": 7.788274838916693,
"formula_full": "Sc4 Be2 B4 Ir10",
"formula_reduced": "Sc2BeB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.602930726666667,
"spacegroup": 127
},
{
"id": "jvasp-90425",
"created_at": "2022-09-04T14:36:19.371994Z",
"updated_at": "2022-09-04T14:36:19.372025Z",
"structure_string": "Sc2 Al2 C2 O2\n1.0\n-1.627355 -2.818662 0.000000\n-1.627355 2.818662 0.000000\n0.000000 0.000000 -10.248283\nSc Al C O\n2 2 2 2\ndirect\n0.666671 0.333332 0.804318 Sc\n0.333332 0.666671 0.304318 Sc\n0.000006 0.999997 0.520306 Al\n0.999997 0.000006 0.020306 Al\n0.333332 0.666671 0.941615 C\n0.666671 0.333332 0.441615 C\n0.000005 0.999997 0.697082 O\n0.999997 0.000005 0.197082 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sc",
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O-Sc",
"density": 3.53057010911865,
"density_atomic": 0.08509099038394492,
"volume": 94.0170041963626,
"volume_molar": 7.077295413800079,
"formula_full": "Sc2 Al2 C2 O2",
"formula_reduced": "ScAlCO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.6992403875,
"spacegroup": 186
},
{
"id": "jvasp-39126",
"created_at": "2022-09-04T14:37:54.837230Z",
"updated_at": "2022-09-04T14:37:54.837255Z",
"structure_string": "Sc2 Al2 C2 O2\n1.0\n1.640476 0.947128 10.093025\n-1.640476 0.947128 10.093025\n0.000000 -1.894259 10.093025\nSc Al C O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500000 Sc\n0.738711 0.738711 0.738709 Al\n0.261290 0.261290 0.261290 Al\n0.618382 0.618382 0.618381 C\n0.381619 0.381619 0.381618 C\n0.200001 0.200001 0.200001 O\n0.800000 0.800000 0.799997 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sc",
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O-Sc",
"density": 3.527764890400728,
"density_atomic": 0.08502338123540117,
"volume": 94.09176492111845,
"volume_molar": 7.08292315889757,
"formula_full": "Sc2 Al2 C2 O2",
"formula_reduced": "ScAlCO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7028453875,
"spacegroup": 166
},
{
"id": "jvasp-49148",
"created_at": "2022-09-04T14:36:35.856679Z",
"updated_at": "2022-09-04T14:36:35.856696Z",
"structure_string": "Sc2 Ag2 P4 Se12\n1.0\n3.255132 -5.638053 -0.000000\n3.255132 5.638053 -0.000000\n0.000000 0.000000 13.437078\nSc Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.665857 P\n0.666667 0.333333 0.834143 P\n0.333333 0.666667 0.334143 P\n0.333333 0.666667 0.165857 P\n0.672569 0.979630 0.381838 Se\n0.307061 0.979630 0.118162 Se\n0.979630 0.307061 0.618162 Se\n0.692939 0.672569 0.618162 Se\n0.327431 0.020370 0.618162 Se\n0.020370 0.692939 0.381838 Se\n0.327431 0.307061 0.881838 Se\n0.020370 0.327431 0.118162 Se\n0.979630 0.672569 0.881838 Se\n0.672569 0.692939 0.118162 Se\n0.692939 0.020370 0.881838 Se\n0.307061 0.327431 0.381838 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-P-Sc-Se",
"density": 4.636287939991401,
"density_atomic": 0.04055061108066114,
"volume": 493.2108164835557,
"volume_molar": 14.850924806092502,
"formula_full": "Sc2 Ag2 P4 Se12",
"formula_reduced": "ScAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.940414371,
"spacegroup": 163
},
{
"id": "jvasp-4852",
"created_at": "2022-09-04T14:35:56.703424Z",
"updated_at": "2022-09-04T14:35:56.703449Z",
"structure_string": "Sc2 Ag2 P4 Se12\n1.0\n3.255188 -5.638151 0.000000\n3.255188 5.638151 0.000000\n0.000000 0.000000 13.436362\nSc Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.665858 P\n0.666667 0.333333 0.834141 P\n0.333333 0.666667 0.334141 P\n0.333333 0.666667 0.165859 P\n0.672567 0.979623 0.381841 Se\n0.307056 0.979623 0.118159 Se\n0.979623 0.307056 0.618158 Se\n0.692945 0.672567 0.618158 Se\n0.327433 0.020378 0.618158 Se\n0.020378 0.692945 0.381841 Se\n0.327433 0.307056 0.881841 Se\n0.020378 0.327433 0.118159 Se\n0.979623 0.672567 0.881841 Se\n0.672567 0.692945 0.118159 Se\n0.692945 0.020378 0.881841 Se\n0.307056 0.327433 0.381841 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-P-Sc-Se",
"density": 4.63637464691,
"density_atomic": 0.040551369449981514,
"volume": 493.20159272719997,
"volume_molar": 14.850647072296953,
"formula_full": "Sc2 Ag2 P4 Se12",
"formula_reduced": "ScAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.940413371,
"spacegroup": 163
},
{
"id": "jvasp-4606",
"created_at": "2022-09-04T14:36:07.117349Z",
"updated_at": "2022-09-04T14:36:07.117374Z",
"structure_string": "Sc2 Ag2 P4 S12\n1.0\n3.098336 -5.366475 0.000000\n3.098336 5.366475 0.000000\n0.000000 0.000000 12.899013\nSc Ag P S\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666668 0.250000 Ag\n0.666668 0.333333 0.750000 Ag\n0.666668 0.333333 0.336642 P\n0.666668 0.333333 0.163358 P\n0.333333 0.666668 0.663357 P\n0.333333 0.666668 0.836642 P\n0.305582 0.336590 0.619748 S\n0.031009 0.694419 0.619748 S\n0.663411 0.968993 0.619748 S\n0.031009 0.336590 0.880251 S\n0.663411 0.694419 0.880251 S\n0.336590 0.031009 0.380252 S\n0.694419 0.663411 0.380252 S\n0.968993 0.305582 0.380252 S\n0.694419 0.031009 0.119748 S\n0.968993 0.663411 0.119748 S\n0.305582 0.968993 0.880251 S\n0.336590 0.305582 0.119748 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S-Sc",
"density": 3.1524038122907183,
"density_atomic": 0.046625756991839636,
"volume": 428.9474593088187,
"volume_molar": 12.915909893010392,
"formula_full": "Sc2 Ag2 P4 S12",
"formula_reduced": "ScAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.282615351,
"spacegroup": 163
},
{
"id": "jvasp-27538",
"created_at": "2022-09-04T14:38:09.450252Z",
"updated_at": "2022-09-04T14:38:09.450262Z",
"structure_string": "Sc2 Ag2 P4 S12\n1.0\n3.098378 -5.366547 -0.000000\n3.098378 5.366547 0.000000\n-0.000000 -0.000000 12.898790\nSc Ag P S\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.336640 P\n0.666667 0.333333 0.163360 P\n0.333333 0.666667 0.663360 P\n0.333333 0.666667 0.836640 P\n0.305614 0.336599 0.619759 S\n0.030985 0.694386 0.619759 S\n0.663401 0.969016 0.619759 S\n0.030985 0.336599 0.880241 S\n0.663401 0.694386 0.880241 S\n0.336599 0.030985 0.380241 S\n0.694386 0.663401 0.380241 S\n0.969016 0.305614 0.380241 S\n0.694386 0.030985 0.119759 S\n0.969016 0.663401 0.119759 S\n0.305614 0.969016 0.880241 S\n0.336599 0.305614 0.119759 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S-Sc",
"density": 3.1523732851403987,
"density_atomic": 0.04662530547877938,
"volume": 428.9516131771537,
"volume_molar": 12.91603496890945,
"formula_full": "Sc2 Ag2 P4 S12",
"formula_reduced": "ScAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.282615351,
"spacegroup": 163
},
{
"id": "jvasp-98570",
"created_at": "2022-09-04T14:36:01.468602Z",
"updated_at": "2022-09-04T14:36:01.468633Z",
"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.539581 -0.040166 -0.369741\n-2.599516 8.780000 -3.334725\n0.016140 -0.068660 10.055199\nSb Xe O F\n4 4 4 36\ndirect\n0.925504 0.747057 0.251630 Sb\n0.433577 0.775896 0.585864 Sb\n0.074496 0.252943 0.748370 Sb\n0.566422 0.224103 0.414136 Sb\n0.560832 0.228757 0.878765 Xe\n0.925846 0.795198 0.723374 Xe\n0.439167 0.771243 0.121234 Xe\n0.074153 0.204802 0.276625 Xe\n0.102766 0.884668 0.864669 O\n0.266480 0.786834 0.019821 O\n0.733519 0.213165 0.980178 O\n0.897233 0.115332 0.135330 O\n0.746781 0.139784 0.401565 F\n0.685879 0.427771 0.865870 F\n0.869166 0.531052 0.166841 F\n0.778942 0.650169 0.795025 F\n0.064407 0.228475 0.927369 F\n0.412841 0.748371 0.762665 F\n0.253218 0.860216 0.598435 F\n0.587158 0.251629 0.237335 F\n0.695050 0.741635 0.235200 F\n0.479098 0.368515 0.039770 F\n0.221057 0.349831 0.204975 F\n0.153740 0.770733 0.285201 F\n0.363252 0.281209 0.421688 F\n0.314120 0.572228 0.134130 F\n0.023442 0.028557 0.656121 F\n0.846259 0.229266 0.714798 F\n0.691247 0.427760 0.521946 F\n0.976558 0.971442 0.343879 F\n0.522735 0.185728 0.585654 F\n0.426385 0.013292 0.306793 F\n0.520901 0.631485 0.960230 F\n0.304949 0.258364 0.764800 F\n0.130833 0.468948 0.833159 F\n0.935592 0.771524 0.072630 F\n0.009887 0.615236 0.629051 F\n0.096510 0.260765 0.561441 F\n0.477264 0.814271 0.414345 F\n0.806992 0.939145 0.839807 F\n0.193007 0.060854 0.160192 F\n0.606089 0.932995 0.078882 F\n0.636748 0.718790 0.578312 F\n0.308752 0.572240 0.478053 F\n-0.009887 0.384764 0.370949 F\n0.393910 0.067005 0.921118 F\n0.903490 0.739235 0.438558 F\n0.573614 0.986708 0.693207 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sb",
"Xe",
"O",
"F"
],
"chemical_system": "F-O-Sb-Xe",
"density": 3.89241140630171,
"density_atomic": 0.0639235189465853,
"volume": 750.8973346744092,
"volume_molar": 9.420853011912753,
"formula_full": "Sb4 Xe4 O4 F36",
"formula_reduced": "SbXeOF9",
"formula_anonymous": "ABCD9",
"energy_above_hull": 0.0,
"spacegroup": 2
}
]
}