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=-volume&page=3471",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3469",
"results": [
{
"id": "jvasp-15017",
"created_at": "2022-09-04T14:36:45.685956Z",
"updated_at": "2022-09-04T14:36:45.685983Z",
"structure_string": "Ho1 Ga3\n1.0\n4.254839 0.000000 -0.000000\n-0.000000 4.254839 0.000000\n-0.000000 0.000000 4.254839\nHo Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 8.064670392060066,
"density_atomic": 0.05192907626859485,
"volume": 77.02813697880238,
"volume_molar": 11.596857084172726,
"formula_full": "Ho1 Ga3",
"formula_reduced": "HoGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20484",
"created_at": "2022-09-04T14:38:15.774003Z",
"updated_at": "2022-09-04T14:38:15.774014Z",
"structure_string": "Ho1 Al3\n1.0\n4.254718 0.000000 0.000000\n0.000000 4.254718 0.000000\n-0.000000 -0.000000 4.254718\nHo Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Al"
],
"chemical_system": "Al-Ho",
"density": 5.300917133230541,
"density_atomic": 0.051933506830332,
"volume": 77.02156553895146,
"volume_molar": 11.595867730778274,
"formula_full": "Ho1 Al3",
"formula_reduced": "HoAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.502150991666667,
"spacegroup": 221
},
{
"id": "jvasp-39169",
"created_at": "2022-09-04T14:37:49.726949Z",
"updated_at": "2022-09-04T14:37:49.726965Z",
"structure_string": "Sc1 Bi1 Pd2\n1.0\n0.000000 3.376940 3.376940\n3.376940 -0.000000 3.376940\n3.376940 3.376940 0.000000\nSc Bi Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sc\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Sc",
"density": 10.063704522114172,
"density_atomic": 0.05193497927132505,
"volume": 77.01938185250276,
"volume_molar": 11.595538969099032,
"formula_full": "Sc1 Bi1 Pd2",
"formula_reduced": "ScBiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5379502375,
"spacegroup": 225
},
{
"id": "jvasp-68202",
"created_at": "2022-09-04T14:35:40.771984Z",
"updated_at": "2022-09-04T14:35:40.772013Z",
"structure_string": "Ta2 Be1 Br1\n1.0\n3.001756 -0.000000 0.000000\n-0.000000 3.001756 -0.000000\n-0.000000 -0.000000 8.547402\nTa Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.008689 Ta\n0.500001 0.500001 0.263995 Ta\n0.000000 0.000000 0.433514 Be\n0.500001 0.500001 0.793801 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ta",
"density": 9.719850934709973,
"density_atomic": 0.05193678788151467,
"volume": 77.01669978369377,
"volume_molar": 11.595135174201635,
"formula_full": "Ta2 Be1 Br1",
"formula_reduced": "Ta2BeBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8773046512499993,
"spacegroup": 99
},
{
"id": "jvasp-93348",
"created_at": "2022-09-04T14:36:03.544968Z",
"updated_at": "2022-09-04T14:36:03.544979Z",
"structure_string": "Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pu",
"B",
"Ru"
],
"chemical_system": "B-Pu-Ru",
"density": 12.264701227173683,
"density_atomic": 0.07790675334183979,
"volume": 77.01514621810973,
"volume_molar": 7.729934186290642,
"formula_full": "Pu1 B2 Ru3",
"formula_reduced": "PuB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.581347777777777,
"spacegroup": 191
},
{
"id": "jvasp-102724",
"created_at": "2022-09-04T14:36:53.717959Z",
"updated_at": "2022-09-04T14:36:53.717989Z",
"structure_string": "Li2 Cd1 In1\n1.0\n4.135780 -0.000000 2.387794\n1.378593 3.899251 2.387794\n-0.000000 0.000000 4.775587\nLi Cd In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.749999 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 5.1987716207925905,
"density_atomic": 0.05193912262870729,
"volume": 77.01323775902904,
"volume_molar": 11.594613954205496,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.12779999625,
"spacegroup": 216
},
{
"id": "jvasp-35646",
"created_at": "2022-09-04T14:37:31.095726Z",
"updated_at": "2022-09-04T14:37:31.095747Z",
"structure_string": "Yb1 Bi1 Pt1\n1.0\n3.376476 3.376476 0.000000\n3.376476 0.000000 -3.376476\n0.000000 3.376476 -3.376476\nYb Bi Pt\n1 1 1\ndirect\n0.500001 0.500001 0.500001 Yb\n0.000000 0.000000 0.000000 Bi\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Yb",
"Bi",
"Pt"
],
"chemical_system": "Bi-Pt-Yb",
"density": 12.447510061612878,
"density_atomic": 0.03896729485780415,
"volume": 76.98763824759514,
"volume_molar": 15.454346476899257,
"formula_full": "Yb1 Bi1 Pt1",
"formula_reduced": "YbBiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5171487999999999,
"spacegroup": 216
},
{
"id": "jvasp-118371",
"created_at": "2022-09-04T14:38:53.065157Z",
"updated_at": "2022-09-04T14:38:53.065187Z",
"structure_string": "Ca1 Al1 S2\n1.0\n3.740423 0.000000 0.000000\n-1.870211 3.239301 0.000000\n0.000000 -0.000000 6.353247\nCa Al S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.786333 S\n0.666667 0.333334 0.213668 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"S"
],
"chemical_system": "Al-Ca-S",
"density": 2.829961570959392,
"density_atomic": 0.051962762011262036,
"volume": 76.9782021812672,
"volume_molar": 11.589339224683256,
"formula_full": "Ca1 Al1 S2",
"formula_reduced": "CaAlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9125458050000002,
"spacegroup": 164
},
{
"id": "jvasp-8343",
"created_at": "2022-09-04T14:37:02.444302Z",
"updated_at": "2022-09-04T14:37:02.444325Z",
"structure_string": "Mg1 W2 N2\n1.0\n3.280766 0.000000 0.000000\n0.000000 3.280733 0.000000\n0.000000 0.000000 7.151575\nMg W N\n1 2 2\ndirect\n0.000000 0.000000 0.250010 Mg\n0.500001 0.500000 0.928672 W\n0.500001 0.500000 0.571322 W\n0.500001 0.000000 0.431632 N\n0.000000 0.500000 0.068362 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"W",
"N"
],
"chemical_system": "Mg-N-W",
"density": 9.06043174951373,
"density_atomic": 0.0649564324064099,
"volume": 76.97467078728603,
"volume_molar": 9.27104604871393,
"formula_full": "Mg1 W2 N2",
"formula_reduced": "Mg(WN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.400693109999999,
"spacegroup": 115
},
{
"id": "jvasp-113685",
"created_at": "2022-09-04T14:38:48.297888Z",
"updated_at": "2022-09-04T14:38:48.297919Z",
"structure_string": "Al2 S2 O2\n1.0\n3.710890 0.000000 0.000000\n0.000000 3.710890 -0.000000\n-0.000000 -0.000000 5.589364\nAl S O\n2 2 2\ndirect\n0.500000 0.000000 0.883942 Al\n0.000000 0.500000 0.116058 Al\n0.000000 0.500000 0.511230 S\n0.500000 0.000000 0.488770 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S",
"density": 3.2380811725027225,
"density_atomic": 0.07795297513884147,
"volume": 76.96948050171842,
"volume_molar": 7.725350763423729,
"formula_full": "Al2 S2 O2",
"formula_reduced": "AlSO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1473687666666663,
"spacegroup": 129
},
{
"id": "jvasp-108885",
"created_at": "2022-09-04T14:38:19.128750Z",
"updated_at": "2022-09-04T14:38:19.128775Z",
"structure_string": "Na1 Bi1 Pd2\n1.0\n4.134992 -0.000000 2.387339\n1.378331 3.898507 2.387339\n-0.000000 -0.000000 4.774677\nNa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500001 Bi\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750000 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Bi",
"Pd"
],
"chemical_system": "Bi-Na-Pd",
"density": 9.59636626799431,
"density_atomic": 0.05196883746061179,
"volume": 76.9692029965396,
"volume_molar": 11.58798436575438,
"formula_full": "Na1 Bi1 Pd2",
"formula_reduced": "NaBiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8051311750000001,
"spacegroup": 225
},
{
"id": "jvasp-86832",
"created_at": "2022-09-04T14:35:41.656669Z",
"updated_at": "2022-09-04T14:35:41.656695Z",
"structure_string": "Nd1 B2 Rh2 C1\n1.0\n3.646350 -0.000000 -1.284244\n-0.452310 3.618188 -1.284244\n0.004212 0.004771 5.830617\nNd B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.644999 0.644999 0.289999 B\n0.355001 0.355001 0.710003 B\n0.750000 0.250000 0.500001 Rh\n0.250000 0.750000 0.500001 Rh\n0.500000 0.500000 0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Nd",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Nd-Rh",
"density": 8.277677654436186,
"density_atomic": 0.07795339782245972,
"volume": 76.96906315315606,
"volume_molar": 7.725308874560587,
"formula_full": "Nd1 B2 Rh2 C1",
"formula_reduced": "NdB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.040545444444445,
"spacegroup": 139
}
]
}