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=-structure_string&page=1199",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1197",
"results": [
{
"id": "jvasp-26328",
"created_at": "2022-09-04T14:38:30.628535Z",
"updated_at": "2022-09-04T14:38:30.628548Z",
"structure_string": "Sc2 As2 O8\n1.0\n5.447767 0.014982 -1.679636\n-2.964451 4.570602 -1.679765\n-0.008039 -0.015007 5.700850\nSc As O\n2 2 8\ndirect\n0.124996 0.874998 0.249998 Sc\n0.875004 0.125001 0.750002 Sc\n0.374997 0.625000 0.749997 As\n0.625003 0.374998 0.250003 As\n0.189120 0.626631 0.937516 O\n0.189120 0.251603 0.562488 O\n0.251608 0.189115 0.062493 O\n0.810880 0.373367 0.062483 O\n0.626644 0.189124 0.437519 O\n0.748392 0.810884 0.937507 O\n0.810880 0.748395 0.437512 O\n0.373356 0.810874 0.562481 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"As",
"O"
],
"chemical_system": "As-O-Sc",
"density": 4.302618358992371,
"density_atomic": 0.08454969176045929,
"volume": 141.9283707621031,
"volume_molar": 7.122605221390445,
"formula_full": "Sc2 As2 O8",
"formula_reduced": "ScAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2959585,
"spacegroup": 141
},
{
"id": "jvasp-9685",
"created_at": "2022-09-04T14:38:17.781848Z",
"updated_at": "2022-09-04T14:38:17.781868Z",
"structure_string": "Sc2 Al6 C6\n1.0\n1.680507 -2.910722 -0.000000\n1.680507 2.910722 -0.000000\n-0.000000 0.000000 16.801490\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333334 0.666668 0.128807 Al\n0.666668 0.333334 0.871193 Al\n0.333334 0.666668 0.750000 Al\n0.333334 0.666668 0.371193 Al\n0.666668 0.333334 0.628807 Al\n0.666668 0.333334 0.250000 Al\n0.666668 0.333334 0.086526 C\n0.666668 0.333334 0.750000 C\n0.333334 0.666668 0.250000 C\n0.333334 0.666668 0.913474 C\n0.666668 0.333334 0.413474 C\n0.333334 0.666668 0.586526 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Al",
"C"
],
"chemical_system": "Al-C-Sc",
"density": 3.2718592214723925,
"density_atomic": 0.08517442060428253,
"volume": 164.36859682372864,
"volume_molar": 7.070363047115592,
"formula_full": "Sc2 Al6 C6",
"formula_reduced": "Sc(AlC)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.128660521428571,
"spacegroup": 194
},
{
"id": "jvasp-19844",
"created_at": "2022-09-04T14:36:00.227697Z",
"updated_at": "2022-09-04T14:36:00.227729Z",
"structure_string": "Sc2 Al4\n1.0\n4.649008 -0.000000 2.684105\n1.549669 4.383126 2.684105\n-0.000000 -0.000000 5.368211\nSc Al\n2 4\ndirect\n0.875000 0.875001 0.875001 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000001 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 3.003204710988971,
"density_atomic": 0.05485010002585249,
"volume": 109.38904390642898,
"volume_molar": 10.979270333438928,
"formula_full": "Sc2 Al4",
"formula_reduced": "ScAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6021069500000005,
"spacegroup": 227
},
{
"id": "jvasp-93360",
"created_at": "2022-09-04T14:36:30.932775Z",
"updated_at": "2022-09-04T14:36:30.932796Z",
"structure_string": "Sc2 Al4\n1.0\n-3.795900 -3.795900 0.000000\n-3.795900 -0.000000 -3.795900\n0.000000 -3.795900 -3.795900\nSc Al\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.875000 0.875000 0.875000 Sc\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 3.003201547600126,
"density_atomic": 0.05485004225017242,
"volume": 109.38915913015799,
"volume_molar": 10.979281898330845,
"formula_full": "Sc2 Al4",
"formula_reduced": "ScAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6021069500000005,
"spacegroup": 227
},
{
"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-95045",
"created_at": "2022-09-04T14:35:50.263969Z",
"updated_at": "2022-09-04T14:35:50.263987Z",
"structure_string": "Sc2 Al2 Ge2\n1.0\n3.939759 -0.000000 0.000000\n-1.969880 5.009020 -0.000000\n-0.000000 -0.000000 5.523203\nSc Al Ge\n2 2 2\ndirect\n0.316273 0.632547 0.250000 Sc\n0.683727 0.367453 0.750000 Sc\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.621059 0.242119 0.250000 Ge\n0.378941 0.757881 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sc",
"density": 4.405206058716261,
"density_atomic": 0.05504752821716015,
"volume": 108.99671964071223,
"volume_molar": 10.93989313424376,
"formula_full": "Sc2 Al2 Ge2",
"formula_reduced": "ScAlGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.302731333333333,
"spacegroup": 63
},
{
"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-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-37101",
"created_at": "2022-09-04T14:38:06.819546Z",
"updated_at": "2022-09-04T14:38:06.819565Z",
"structure_string": "Sc2 Al2\n1.0\n0.000000 0.000000 4.358920\n3.339671 0.000000 0.000000\n-1.669836 5.548211 -0.000000\nSc Al\n2 2\ndirect\n0.250000 0.162336 0.324673 Sc\n0.750000 0.837662 0.675327 Sc\n0.250000 0.429535 0.859075 Al\n0.750000 0.570463 0.140925 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 2.9580028153187063,
"density_atomic": 0.04952499478340285,
"volume": 80.7672977552843,
"volume_molar": 12.159800897178853,
"formula_full": "Sc2 Al2",
"formula_reduced": "ScAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.209834025,
"spacegroup": 63
},
{
"id": "jvasp-41903",
"created_at": "2022-09-04T14:37:39.200582Z",
"updated_at": "2022-09-04T14:37:39.200605Z",
"structure_string": "Sc2 Al1 Zn1\n1.0\n0.000000 3.365028 3.365028\n3.365028 0.000000 3.365028\n3.365028 3.365028 -0.000000\nSc Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Al\n0.750001 0.750001 0.750001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Zn"
],
"chemical_system": "Al-Sc-Zn",
"density": 3.972330290864735,
"density_atomic": 0.05248847425538759,
"volume": 76.20720656762902,
"volume_molar": 11.47326312191646,
"formula_full": "Sc2 Al1 Zn1",
"formula_reduced": "Sc2AlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.214508425,
"spacegroup": 225
},
{
"id": "jvasp-41900",
"created_at": "2022-09-04T14:37:41.739315Z",
"updated_at": "2022-09-04T14:37:41.739337Z",
"structure_string": "Sc2 Al1 Tc1\n1.0\n0.000000 3.301516 3.301516\n3.301516 0.000000 3.301516\n3.301516 3.301516 -0.000000\nSc Al Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.249999 0.249999 0.249999 Al\n0.750001 0.750001 0.750001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Tc"
],
"chemical_system": "Al-Sc-Tc",
"density": 4.9579470528323295,
"density_atomic": 0.05557631875057559,
"volume": 71.97310095243711,
"volume_molar": 10.835803621731657,
"formula_full": "Sc2 Al1 Tc1",
"formula_reduced": "Sc2AlTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9821562,
"spacegroup": 225
},
{
"id": "jvasp-41902",
"created_at": "2022-09-04T14:37:41.979138Z",
"updated_at": "2022-09-04T14:37:41.979163Z",
"structure_string": "Sc2 Al1 Ru1\n1.0\n-0.000000 3.288205 3.288205\n3.288205 0.000000 3.288205\n3.288205 3.288205 -0.000000\nSc Al Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499998 0.499998 0.499998 Sc\n0.250000 0.250000 0.250000 Al\n0.749998 0.749998 0.749998 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Sc",
"density": 5.090095667937631,
"density_atomic": 0.05625399101780925,
"volume": 71.10606603420644,
"volume_molar": 10.705268463696154,
"formula_full": "Sc2 Al1 Ru1",
"formula_reduced": "Sc2AlRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7037509500000003,
"spacegroup": 225
}
]
}