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=1067",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1065",
"results": [
{
"id": "jvasp-105803",
"created_at": "2022-09-04T14:35:57.746760Z",
"updated_at": "2022-09-04T14:35:57.746782Z",
"structure_string": "Li1 Sc2 Pd1\n1.0\n4.058976 0.000000 2.343450\n1.352992 3.826838 2.343450\n0.000000 0.000000 4.686901\nLi Sc Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.749999 Sc\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Pd"
],
"chemical_system": "Li-Pd-Sc",
"density": 4.636455296837136,
"density_atomic": 0.05494366809141167,
"volume": 72.80183757198486,
"volume_molar": 10.960572836128737,
"formula_full": "Li1 Sc2 Pd1",
"formula_reduced": "LiSc2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.77486905,
"spacegroup": 225
},
{
"id": "jvasp-70314",
"created_at": "2022-09-04T14:35:55.075387Z",
"updated_at": "2022-09-04T14:35:55.075412Z",
"structure_string": "Ca1 Be2 Tl1\n1.0\n3.163564 0.000000 0.000000\n0.000000 3.163564 0.000000\n0.000000 0.000000 7.275581\nCa Be Tl\n1 2 1\ndirect\n0.000000 0.000000 0.539072 Ca\n0.000000 0.000000 0.931015 Be\n0.499999 0.499999 0.828442 Be\n0.499999 0.499999 0.201471 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tl"
],
"chemical_system": "Be-Ca-Tl",
"density": 5.985959257137086,
"density_atomic": 0.054933726578777396,
"volume": 72.81501272745119,
"volume_molar": 10.962556402147564,
"formula_full": "Ca1 Be2 Tl1",
"formula_reduced": "CaBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.726836305,
"spacegroup": 99
},
{
"id": "jvasp-38241",
"created_at": "2022-09-04T14:37:54.717081Z",
"updated_at": "2022-09-04T14:37:54.717115Z",
"structure_string": "Hf1 Zr1 Zn2\n1.0\n-0.000004 3.314348 3.314350\n3.314351 0.000002 3.314345\n3.314353 3.314345 0.000000\nHf Zr Zn\n1 1 2\ndirect\n0.250001 0.250000 0.250001 Hf\n0.749999 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Zn\n0.499998 0.499999 0.499999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Zn"
],
"chemical_system": "Hf-Zn-Zr",
"density": 9.134012640577845,
"density_atomic": 0.05493324862351879,
"volume": 72.81564626577472,
"volume_molar": 10.962651783571593,
"formula_full": "Hf1 Zr1 Zn2",
"formula_reduced": "HfZrZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.595119575,
"spacegroup": 225
},
{
"id": "jvasp-79466",
"created_at": "2022-09-04T14:36:38.861380Z",
"updated_at": "2022-09-04T14:36:38.861406Z",
"structure_string": "La2 N2\n1.0\n-0.000000 0.000000 3.663739\n4.458176 0.000000 -0.000000\n0.000000 4.458176 0.000000\nLa N\n2 2\ndirect\n0.272288 0.000000 0.500000 La\n0.727713 0.500000 0.000000 La\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 6.974004093422696,
"density_atomic": 0.054931447674729135,
"volume": 72.8180335549426,
"volume_molar": 10.96301119835669,
"formula_full": "La2 N2",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.644334125,
"spacegroup": 129
},
{
"id": "jvasp-120194",
"created_at": "2022-09-04T14:38:52.406027Z",
"updated_at": "2022-09-04T14:38:52.406048Z",
"structure_string": "Ca1 Al1 F1\n1.0\n4.968011 -0.000000 -0.000000\n-2.484006 4.302424 0.000000\n-0.000000 -0.000000 3.406984\nCa Al F\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.9623397548624641,
"density_atomic": 0.04119603367091981,
"volume": 72.82254461593212,
"volume_molar": 14.618253805950777,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3045088586666666,
"spacegroup": 187
},
{
"id": "jvasp-113658",
"created_at": "2022-09-04T14:38:50.797638Z",
"updated_at": "2022-09-04T14:38:50.797666Z",
"structure_string": "Li2 Bi1\n1.0\n4.786423 0.000000 -1.236963\n0.000000 3.443124 0.000000\n-1.316887 0.000000 4.759293\nLi Bi\n2 1\ndirect\n-0.199768 0.000000 -0.199608 Li\n0.133078 0.000000 0.466274 Li\n0.466690 0.000000 0.133333 Bi\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Bi"
],
"chemical_system": "Bi-Li",
"density": 5.0816099402769686,
"density_atomic": 0.041194257566559304,
"volume": 72.82568438459592,
"volume_molar": 14.618884076912352,
"formula_full": "Li2 Bi1",
"formula_reduced": "Li2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5280981,
"spacegroup": 191
},
{
"id": "jvasp-44687",
"created_at": "2022-09-04T14:38:10.844950Z",
"updated_at": "2022-09-04T14:38:10.844968Z",
"structure_string": "Li2 Cr1 Cu1 O4\n1.0\n0.000000 5.586120 0.357855\n2.823661 0.000000 0.000000\n0.000000 -2.197005 -4.757984\nLi Cr Cu O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000001 0.500000 0.500000 Cr\n0.499999 0.000000 0.499999 Cu\n0.785842 0.000000 0.238089 O\n0.230888 0.500000 0.316664 O\n0.214156 0.000000 0.761909 O\n0.769110 0.500000 0.683334 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-O",
"density": 4.410105371881056,
"density_atomic": 0.10984610444465265,
"volume": 72.82916440638003,
"volume_molar": 5.482343493605029,
"formula_full": "Li2 Cr1 Cu1 O4",
"formula_reduced": "Li2CrCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.01574648125,
"spacegroup": 10
},
{
"id": "jvasp-78841",
"created_at": "2022-09-04T14:36:34.582919Z",
"updated_at": "2022-09-04T14:36:34.582946Z",
"structure_string": "K1 N1 O2\n1.0\n0.133188 -2.943725 -3.694366\n0.133188 2.943725 -3.694366\n3.420001 0.000000 -1.985523\nK N O\n1 1 2\ndirect\n0.016192 0.016192 0.000591 K\n0.481814 0.481814 0.535561 N\n0.773294 0.408702 0.425925 O\n0.408702 0.773294 0.425925 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.9403989100712682,
"density_atomic": 0.05492283715198601,
"volume": 72.82944959545594,
"volume_molar": 10.964729923429019,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0073520625,
"spacegroup": 44
},
{
"id": "jvasp-36539",
"created_at": "2022-09-04T14:37:18.236014Z",
"updated_at": "2022-09-04T14:37:18.236036Z",
"structure_string": "C6 N2\n1.0\n3.439255 0.000000 -0.000000\n0.000000 3.439255 0.000000\n-0.000000 0.000000 6.157173\nC N\n6 2\ndirect\n0.000000 0.000000 0.200873 C\n0.000000 0.000000 0.799127 C\n0.000000 0.499999 0.500000 C\n0.499999 0.000000 0.500000 C\n0.499999 0.499999 0.385296 C\n0.499999 0.499999 0.614704 C\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.281791029081986,
"density_atomic": 0.10984489449615627,
"volume": 72.82996662425616,
"volume_molar": 5.482403881967158,
"formula_full": "C6 N2",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy_above_hull": 6.527493312500001,
"spacegroup": 123
},
{
"id": "jvasp-14087",
"created_at": "2022-09-04T14:38:01.965328Z",
"updated_at": "2022-09-04T14:38:01.965356Z",
"structure_string": "Pu1 Fe2 Si2\n1.0\n3.695318 -0.000000 -1.366804\n-0.505546 3.660573 -1.366804\n-0.082713 -0.094921 5.455146\nPu Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.750000 0.500001 Fe\n0.750001 0.250000 0.500001 Fe\n0.630026 0.630026 0.260054 Si\n0.369974 0.369974 0.739949 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Fe",
"Si"
],
"chemical_system": "Fe-Pu-Si",
"density": 9.390153992756375,
"density_atomic": 0.06865038098047276,
"volume": 72.83280775123774,
"volume_molar": 8.772188404479456,
"formula_full": "Pu1 Fe2 Si2",
"formula_reduced": "Pu(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.38332164,
"spacegroup": 139
},
{
"id": "jvasp-43461",
"created_at": "2022-09-04T14:37:08.198306Z",
"updated_at": "2022-09-04T14:37:08.198337Z",
"structure_string": "Li1 V3 O4\n1.0\n2.921716 0.000665 0.000969\n-0.001249 5.124494 0.029988\n-0.001309 -1.640121 4.855124\nLi V O\n1 3 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.999975 0.753002 0.253001 O\n0.500000 0.744450 0.755552 O\n0.000026 0.246998 0.746999 O\n0.500000 0.255551 0.244448 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 5.101413118466559,
"density_atomic": 0.10983554620018349,
"volume": 72.83616531044879,
"volume_molar": 5.482870498976897,
"formula_full": "Li1 V3 O4",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.134524575,
"spacegroup": 65
},
{
"id": "jvasp-41749",
"created_at": "2022-09-04T14:37:46.172945Z",
"updated_at": "2022-09-04T14:37:46.172968Z",
"structure_string": "Dy1 In1 Rh2\n1.0\n0.000000 3.314707 3.314707\n3.314707 -0.000000 3.314707\n3.314707 3.314707 -0.000000\nDy In Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"In",
"Rh"
],
"chemical_system": "Dy-In-Rh",
"density": 11.014043120800043,
"density_atomic": 0.054915451594161495,
"volume": 72.83924439993629,
"volume_molar": 10.966204565711452,
"formula_full": "Dy1 In1 Rh2",
"formula_reduced": "DyInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4822931174999998,
"spacegroup": 225
}
]
}