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=1069",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1067",
"results": [
{
"id": "jvasp-41435",
"created_at": "2022-09-04T14:37:35.290790Z",
"updated_at": "2022-09-04T14:37:35.290828Z",
"structure_string": "Lu1 Mg1 Pd2\n1.0\n-0.000000 3.315800 3.315800\n3.315800 0.000000 3.315800\n3.315800 3.315800 0.000000\nLu Mg Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Lu\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"Pd"
],
"chemical_system": "Lu-Mg-Pd",
"density": 9.385758616139562,
"density_atomic": 0.05486116351410118,
"volume": 72.91132276062399,
"volume_molar": 10.977056216556734,
"formula_full": "Lu1 Mg1 Pd2",
"formula_reduced": "LuMgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.72989405,
"spacegroup": 225
},
{
"id": "jvasp-37650",
"created_at": "2022-09-04T14:37:29.281822Z",
"updated_at": "2022-09-04T14:37:29.281841Z",
"structure_string": "Ho1 Hf1 Os2\n1.0\n0.000000 3.315811 3.315811\n3.315811 0.000000 3.315811\n3.315811 3.315811 -0.000000\nHo Hf Os\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250001 0.250001 0.250001 Hf\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Hf",
"Os"
],
"chemical_system": "Hf-Ho-Os",
"density": 16.48604829034186,
"density_atomic": 0.05486061752025833,
"volume": 72.91204840198752,
"volume_molar": 10.97716546441755,
"formula_full": "Ho1 Hf1 Os2",
"formula_reduced": "HoHfOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.576867141666668,
"spacegroup": 225
},
{
"id": "jvasp-41458",
"created_at": "2022-09-04T14:37:44.060513Z",
"updated_at": "2022-09-04T14:37:44.060542Z",
"structure_string": "Tm1 Tl1 Rh2\n1.0\n-0.000001 3.315818 3.315817\n3.315828 -0.000001 3.315817\n3.315823 3.315813 0.000004\nTm Tl Rh\n1 1 2\ndirect\n0.750000 0.750000 0.749999 Tm\n0.249999 0.250001 0.250000 Tl\n0.000000 1.000000 0.000002 Rh\n0.500000 0.500000 0.499998 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Rh"
],
"chemical_system": "Rh-Tl-Tm",
"density": 13.189295541277723,
"density_atomic": 0.0548602204386473,
"volume": 72.9125761438269,
"volume_molar": 10.97724491780859,
"formula_full": "Tm1 Tl1 Rh2",
"formula_reduced": "TmTlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4747957125000002,
"spacegroup": 225
},
{
"id": "jvasp-121296",
"created_at": "2022-09-04T14:38:55.374747Z",
"updated_at": "2022-09-04T14:38:55.374764Z",
"structure_string": "Li1 Au1 F4\n1.0\n3.838980 0.046342 -0.215435\n0.056449 3.847567 -0.207505\n0.185282 0.165671 4.918281\nLi Au F\n1 1 4\ndirect\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.377185 0.884488 0.259065 F\n0.883906 0.378118 0.258085 F\n0.622815 0.115514 0.740936 F\n0.116094 0.621883 0.741916 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Au",
"F"
],
"chemical_system": "Au-F-Li",
"density": 6.3743209994762005,
"density_atomic": 0.08228702303007276,
"volume": 72.91550695432534,
"volume_molar": 7.318457441095101,
"formula_full": "Li1 Au1 F4",
"formula_reduced": "LiAuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-70743",
"created_at": "2022-09-04T14:35:52.626114Z",
"updated_at": "2022-09-04T14:35:52.626143Z",
"structure_string": "Zr2 Ta1 Be1\n1.0\n3.280609 0.000000 -0.000000\n-0.000000 3.280609 0.000000\n0.000000 0.000000 6.775515\nZr Ta Be\n2 1 1\ndirect\n0.000000 0.000000 0.976960 Zr\n0.500000 0.500000 0.289320 Zr\n0.500000 0.500000 0.704256 Ta\n0.000000 0.000000 0.529462 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Be"
],
"chemical_system": "Be-Ta-Zr",
"density": 8.480411309260543,
"density_atomic": 0.054854054824099545,
"volume": 72.92077154235538,
"volume_molar": 10.97847876389666,
"formula_full": "Zr2 Ta1 Be1",
"formula_reduced": "Zr2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.316371074999999,
"spacegroup": 99
},
{
"id": "jvasp-22735",
"created_at": "2022-09-04T14:36:58.385059Z",
"updated_at": "2022-09-04T14:36:58.385074Z",
"structure_string": "Li1 Ca1 As1\n1.0\n4.061455 -0.000000 2.344882\n1.353819 3.829177 2.344882\n0.000000 0.000000 4.689764\nLi Ca As\n1 1 1\ndirect\n0.499999 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ca",
"As"
],
"chemical_system": "As-Ca-Li",
"density": 2.7762549708976296,
"density_atomic": 0.04113231743858803,
"volume": 72.93535076109202,
"volume_molar": 14.640898288775643,
"formula_full": "Li1 Ca1 As1",
"formula_reduced": "LiCaAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4091640566666666,
"spacegroup": 216
},
{
"id": "jvasp-18477",
"created_at": "2022-09-04T14:37:04.390443Z",
"updated_at": "2022-09-04T14:37:04.390466Z",
"structure_string": "Mo4 N2\n1.0\n3.868036 -0.000000 -1.797995\n-0.835769 3.776665 -1.797995\n-0.020041 -0.024961 5.016548\nMo N\n4 2\ndirect\n0.362523 0.112523 0.725047 Mo\n0.112523 0.362523 0.225046 Mo\n0.887478 0.637476 0.774956 Mo\n0.637477 0.887476 0.274955 Mo\n0.625000 0.375000 0.250001 N\n0.375000 0.624999 0.750001 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 9.374883592254681,
"density_atomic": 0.08226398590197778,
"volume": 72.93592614329849,
"volume_molar": 7.320506894931791,
"formula_full": "Mo4 N2",
"formula_reduced": "Mo2N",
"formula_anonymous": "AB2",
"energy_above_hull": 4.943351683333333,
"spacegroup": 141
},
{
"id": "jvasp-68645",
"created_at": "2022-09-04T14:35:53.377542Z",
"updated_at": "2022-09-04T14:35:53.377567Z",
"structure_string": "Be1 Sn1 Pb1\n1.0\n2.130297 -3.689784 -0.000000\n2.130297 3.689784 0.000000\n0.000000 0.000000 4.639885\nBe Sn Pb\n1 1 1\ndirect\n0.000000 0.000000 0.166559 Be\n0.666667 0.333334 0.166709 Sn\n0.333334 0.666667 0.666732 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Pb"
],
"chemical_system": "Be-Pb-Sn",
"density": 7.624558449000272,
"density_atomic": 0.041128506885752855,
"volume": 72.9421082154387,
"volume_molar": 14.642254766817473,
"formula_full": "Be1 Sn1 Pb1",
"formula_reduced": "BeSnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.84178954,
"spacegroup": 187
},
{
"id": "jvasp-40836",
"created_at": "2022-09-04T14:37:53.915913Z",
"updated_at": "2022-09-04T14:37:53.915943Z",
"structure_string": "Zr1 Bi1 Rh1\n1.0\n4.061605 0.000000 2.344968\n1.353868 3.829319 2.344968\n0.000000 0.000000 4.689938\nZr Bi Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Zr",
"density": 9.176693540796439,
"density_atomic": 0.04112774722215216,
"volume": 72.94345551667233,
"volume_molar": 14.642525221406643,
"formula_full": "Zr1 Bi1 Rh1",
"formula_reduced": "ZrBiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3908006000000004,
"spacegroup": 216
},
{
"id": "jvasp-40782",
"created_at": "2022-09-04T14:37:49.874811Z",
"updated_at": "2022-09-04T14:37:49.874842Z",
"structure_string": "Ca1 Ni1 Te1\n1.0\n4.061676 0.000000 2.345011\n1.353892 3.829387 2.345011\n0.000000 0.000000 4.690021\nCa Ni Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.499999 Ni\n0.250000 0.250000 0.250000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"Te"
],
"chemical_system": "Ca-Ni-Te",
"density": 5.153014108652289,
"density_atomic": 0.041125570162079766,
"volume": 72.947316916865,
"volume_molar": 14.643300351256343,
"formula_full": "Ca1 Ni1 Te1",
"formula_reduced": "CaNiTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3019268622222222,
"spacegroup": 216
},
{
"id": "jvasp-74580",
"created_at": "2022-09-04T14:35:50.654070Z",
"updated_at": "2022-09-04T14:35:50.654094Z",
"structure_string": "Be1 Nb1 Br2\n1.0\n4.795459 0.000000 -0.000000\n0.000000 4.795459 0.000000\n0.000000 0.000000 3.172253\nBe Nb Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Br"
],
"chemical_system": "Be-Br-Nb",
"density": 5.9575640013545295,
"density_atomic": 0.05483171251875342,
"volume": 72.95048460563636,
"volume_molar": 10.982952170133881,
"formula_full": "Be1 Nb1 Br2",
"formula_reduced": "BeNbBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9636184275,
"spacegroup": 123
},
{
"id": "jvasp-16935",
"created_at": "2022-09-04T14:35:42.799111Z",
"updated_at": "2022-09-04T14:35:42.799122Z",
"structure_string": "Ca1 Ni2 N2\n1.0\n3.471424 0.000000 0.000000\n-0.000000 3.471424 -0.000000\n0.000000 0.000000 6.053857\nCa Ni N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.703030 Ni\n0.499999 0.499999 0.296970 Ni\n0.000000 0.499999 0.280700 N\n0.499999 0.000000 0.719301 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"N"
],
"chemical_system": "Ca-N-Ni",
"density": 4.2217692134552,
"density_atomic": 0.0685365947816178,
"volume": 72.95372663219985,
"volume_molar": 8.786752214913363,
"formula_full": "Ca1 Ni2 N2",
"formula_reduced": "Ca(NiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.516842344,
"spacegroup": 115
}
]
}