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=chemical_system&page=3639",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3637",
"results": [
{
"id": "jvasp-110441",
"created_at": "2022-09-04T14:38:38.084778Z",
"updated_at": "2022-09-04T14:38:38.084810Z",
"structure_string": "La1 Tm1 Mg2\n1.0\n4.700580 -0.000000 2.713881\n1.566860 4.431750 2.713881\n0.000000 0.000000 5.427763\nLa Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Tm",
"Mg"
],
"chemical_system": "La-Mg-Tm",
"density": 5.234795840389069,
"density_atomic": 0.03537630042095111,
"volume": 113.07004837710664,
"volume_molar": 17.023093676673643,
"formula_full": "La1 Tm1 Mg2",
"formula_reduced": "LaTmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3632668374999999,
"spacegroup": 225
},
{
"id": "jvasp-93118",
"created_at": "2022-09-04T14:35:48.080957Z",
"updated_at": "2022-09-04T14:35:48.080988Z",
"structure_string": "La1 Mg6 W1\n1.0\n6.541657 -0.102734 0.000000\n-3.359798 5.613874 0.000000\n0.000000 0.000000 5.020933\nLa Mg W\n1 6 1\ndirect\n0.199649 0.300351 0.250000 La\n0.185150 0.827840 0.250000 Mg\n0.672160 0.314850 0.250000 Mg\n0.663072 0.836928 0.250000 Mg\n0.327190 0.686454 0.750000 Mg\n0.813547 0.172811 0.750000 Mg\n0.824274 0.675727 0.750000 Mg\n0.314960 0.185040 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"W"
],
"chemical_system": "La-Mg-W",
"density": 4.259856644120437,
"density_atomic": 0.04379820623077821,
"volume": 182.6558822488529,
"volume_molar": 13.74974291930722,
"formula_full": "La1 Mg6 W1",
"formula_reduced": "LaMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7183436624999999,
"spacegroup": 38
},
{
"id": "jvasp-101172",
"created_at": "2022-09-04T14:36:58.969920Z",
"updated_at": "2022-09-04T14:36:58.969947Z",
"structure_string": "La1 Y1 Mg6\n1.0\n4.975208 -0.004626 7.534909\n2.259745 4.432412 7.534909\n-0.007559 -0.004626 9.029258\nLa Y Mg\n1 1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.499999 0.500001 Y\n0.622428 0.622427 0.622429 Mg\n0.127244 0.127244 0.127245 Mg\n0.872756 0.872754 0.872757 Mg\n0.377572 0.377571 0.377573 Mg\n0.249045 0.249045 0.249046 Mg\n0.750955 0.750953 0.750956 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Y",
"Mg"
],
"chemical_system": "La-Mg-Y",
"density": 3.1091244588154128,
"density_atomic": 0.04008889624480657,
"volume": 199.55650440329555,
"volume_molar": 15.02196698862757,
"formula_full": "La1 Y1 Mg6",
"formula_reduced": "LaYMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-106546",
"created_at": "2022-09-04T14:37:02.835474Z",
"updated_at": "2022-09-04T14:37:02.835498Z",
"structure_string": "La1 Y1 Mg2\n1.0\n4.724725 -0.000000 2.727821\n1.574908 4.454513 2.727821\n0.000000 -0.000000 5.455642\nLa Y Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.749999 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Mg"
],
"chemical_system": "La-Mg-Y",
"density": 3.9975877302194447,
"density_atomic": 0.03483672825258177,
"volume": 114.82134519057648,
"volume_molar": 17.286757574755015,
"formula_full": "La1 Y1 Mg2",
"formula_reduced": "LaYMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7783334083333336,
"spacegroup": 225
},
{
"id": "jvasp-109978",
"created_at": "2022-09-04T14:38:20.249678Z",
"updated_at": "2022-09-04T14:38:20.249719Z",
"structure_string": "Yb1 La1 Mg2\n1.0\n4.800999 -0.000000 2.771858\n1.600333 4.526425 2.771858\n-0.000000 -0.000000 5.543716\nYb La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500001 La\n0.250000 0.250000 0.250001 Mg\n0.750000 0.749999 0.750002 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"La",
"Mg"
],
"chemical_system": "La-Mg-Yb",
"density": 4.969735419088456,
"density_atomic": 0.03320259847290727,
"volume": 120.4724986589206,
"volume_molar": 18.137558615823277,
"formula_full": "Yb1 La1 Mg2",
"formula_reduced": "LaYbMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41946",
"created_at": "2022-09-04T14:37:40.698437Z",
"updated_at": "2022-09-04T14:37:40.698458Z",
"structure_string": "La1 Mg1 Zn2\n1.0\n-0.000000 3.544183 3.544183\n3.544183 0.000000 3.544183\n3.544183 3.544183 0.000000\nLa Mg Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 La\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Zn"
],
"chemical_system": "La-Mg-Zn",
"density": 5.483528076902933,
"density_atomic": 0.04492432716047321,
"volume": 89.03861788985034,
"volume_molar": 13.405077250213326,
"formula_full": "La1 Mg1 Zn2",
"formula_reduced": "LaMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-93310",
"created_at": "2022-09-04T14:36:32.260248Z",
"updated_at": "2022-09-04T14:36:32.260277Z",
"structure_string": "La1 Mn2 Ni3\n1.0\n0.000000 -0.000000 -3.954816\n-2.602859 -4.508284 -0.000000\n-2.602859 4.508284 0.000000\nLa Mn Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.666667 0.333333 Mn\n0.000000 0.333333 0.666667 Mn\n0.500001 0.500000 0.500000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Mn",
"Ni"
],
"chemical_system": "La-Mn-Ni",
"density": 7.601136891557882,
"density_atomic": 0.06464472064439405,
"volume": 92.81500391974106,
"volume_molar": 9.315750304077207,
"formula_full": "La1 Mn2 Ni3",
"formula_reduced": "LaMn2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4664461137931037,
"spacegroup": 191
},
{
"id": "jvasp-92598",
"created_at": "2022-09-04T14:36:09.008972Z",
"updated_at": "2022-09-04T14:36:09.009004Z",
"structure_string": "La1 Mn1 O3\n1.0\n3.885552 -0.000000 0.000000\n-0.000000 3.885552 0.000000\n0.000000 0.000000 3.885552\nLa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.8457673383003765,
"density_atomic": 0.08523379545109142,
"volume": 58.662177057093324,
"volume_molar": 7.065437750517172,
"formula_full": "La1 Mn1 O3",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.277202548275862,
"spacegroup": 221
},
{
"id": "jvasp-97345",
"created_at": "2022-09-04T14:36:04.018423Z",
"updated_at": "2022-09-04T14:36:04.018446Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.547815 0.000000 0.000000\n-0.000000 5.546901 0.000000\n0.000000 0.000000 7.825193\nLa Mn O\n4 4 12\ndirect\n0.005709 0.969342 0.750000 La\n0.494290 0.469343 0.750000 La\n0.505709 0.530657 0.250000 La\n0.994290 0.030657 0.250000 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.780708 0.781541 0.036858 O\n0.719291 0.281541 0.463142 O\n0.719291 0.281541 0.036858 O\n0.569040 0.010888 0.750000 O\n0.430959 0.989112 0.250000 O\n0.219291 0.218459 0.963141 O\n0.280708 0.718459 0.536858 O\n0.219291 0.218459 0.536858 O\n0.780708 0.781541 0.463142 O\n0.069040 0.489112 0.250000 O\n0.280708 0.718459 0.963141 O\n0.930959 0.510888 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.670722273622066,
"density_atomic": 0.08305438231882764,
"volume": 240.80607719439013,
"volume_molar": 7.250840463640216,
"formula_full": "La4 Mn4 O12",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.266194548275862,
"spacegroup": 62
},
{
"id": "jvasp-11795",
"created_at": "2022-09-04T14:37:05.790574Z",
"updated_at": "2022-09-04T14:37:05.790608Z",
"structure_string": "La2 Mn2 O6\n1.0\n4.736237 0.035848 2.791553\n1.610889 4.562320 2.795283\n-0.000503 0.002082 5.587785\nLa Mn O\n2 2 6\ndirect\n0.750001 0.750820 0.749178 La\n0.250000 0.249180 0.250819 La\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.246536 0.685327 0.253538 O\n0.253466 0.246461 0.814671 O\n0.753466 0.314673 0.746459 O\n0.746536 0.753539 0.185326 O\n0.250001 0.812040 0.687958 O\n0.750001 0.187960 0.312039 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.67046887436804,
"density_atomic": 0.08305122735034598,
"volume": 120.40761249458333,
"volume_molar": 7.251115910179156,
"formula_full": "La2 Mn2 O6",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.270956548275862,
"spacegroup": 167
},
{
"id": "jvasp-107088",
"created_at": "2022-09-04T14:37:00.545701Z",
"updated_at": "2022-09-04T14:37:00.545731Z",
"structure_string": "La2 Mn2 O6\n1.0\n5.489518 -0.000030 0.000983\n-2.745428 3.879430 2.744249\n-0.001380 0.000027 5.489517\nLa Mn O\n2 2 6\ndirect\n0.000002 0.000000 0.000002 La\n0.499997 0.000001 0.499996 La\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.750000 Mn\n0.499997 0.499997 0.000004 O\n0.000004 0.500003 0.499997 O\n0.500002 0.500000 0.500002 O\n-0.000001 0.500000 -0.000002 O\n0.500003 0.000014 -0.000003 O\n-0.000003 -0.000014 0.500003 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.87032386900844,
"density_atomic": 0.08553953857847604,
"volume": 116.9050028347506,
"volume_molar": 7.040183826190672,
"formula_full": "La2 Mn2 O6",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.273058548275862,
"spacegroup": 221
}
]
}