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=nsites&page=675",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=673",
"results": [
{
"id": "jvasp-74789",
"created_at": "2022-09-04T14:35:44.996429Z",
"updated_at": "2022-09-04T14:35:44.996453Z",
"structure_string": "Be2 Mo1 W1\n1.0\n2.655766 0.000000 0.000000\n0.000000 2.655766 0.000000\n0.000000 -0.000000 7.012707\nBe Mo W\n2 1 1\ndirect\n0.000000 0.000000 0.750151 Be\n0.000000 0.000000 0.249850 Be\n0.500001 0.500001 0.000000 Mo\n0.500001 0.500001 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"W"
],
"chemical_system": "Be-Mo-W",
"density": 9.99803949290748,
"density_atomic": 0.08087134837437777,
"volume": 49.46127498063712,
"volume_molar": 7.446569002561575,
"formula_full": "Be2 Mo1 W1",
"formula_reduced": "Be2MoW",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.421829525,
"spacegroup": 123
},
{
"id": "jvasp-42866",
"created_at": "2022-09-04T14:35:43.303429Z",
"updated_at": "2022-09-04T14:35:43.303451Z",
"structure_string": "Pr2 Cu1 Ru1\n1.0\n0.000037 3.570150 3.570137\n3.570143 0.000039 3.570136\n3.570147 3.570151 0.000036\nPr Cu Ru\n2 1 1\ndirect\n-0.000000 0.000003 0.999998 Pr\n0.500000 0.499999 0.499998 Pr\n0.249999 0.250001 0.250000 Cu\n0.750002 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ru"
],
"chemical_system": "Cu-Pr-Ru",
"density": 8.145605061427128,
"density_atomic": 0.04395209768870115,
"volume": 91.0081704934936,
"volume_molar": 13.701600325547426,
"formula_full": "Pr2 Cu1 Ru1",
"formula_reduced": "Pr2CuRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8146076625000005,
"spacegroup": 225
},
{
"id": "jvasp-67489",
"created_at": "2022-09-04T14:35:43.306910Z",
"updated_at": "2022-09-04T14:35:43.306943Z",
"structure_string": "Be2 Sn1 Pt1\n1.0\n3.161599 0.000000 0.000000\n0.000000 3.161599 0.000000\n-0.000000 0.000000 5.933692\nBe Sn Pt\n2 1 1\ndirect\n0.000000 0.000000 0.044548 Be\n0.500000 0.500000 0.269780 Be\n0.500000 0.500000 0.775440 Sn\n0.000000 0.000000 0.410231 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Pt"
],
"chemical_system": "Be-Pt-Sn",
"density": 9.28989797562905,
"density_atomic": 0.06744059924858241,
"volume": 59.31145399904019,
"volume_molar": 8.929548116562124,
"formula_full": "Be2 Sn1 Pt1",
"formula_reduced": "Be2SnPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6698813250000002,
"spacegroup": 99
},
{
"id": "jvasp-105828",
"created_at": "2022-09-04T14:35:43.312439Z",
"updated_at": "2022-09-04T14:35:43.312469Z",
"structure_string": "Nd3 Ti1\n1.0\n4.894561 0.000000 0.000000\n-0.000000 4.894561 0.000000\n-0.000000 -0.000000 4.894561\nNd Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ti"
],
"chemical_system": "Nd-Ti",
"density": 6.805895901171682,
"density_atomic": 0.03411290895117226,
"volume": 117.2576635350983,
"volume_molar": 17.653553874927027,
"formula_full": "Nd3 Ti1",
"formula_reduced": "Nd3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2423857083333334,
"spacegroup": 221
},
{
"id": "jvasp-70632",
"created_at": "2022-09-04T14:35:41.237710Z",
"updated_at": "2022-09-04T14:35:41.237740Z",
"structure_string": "Li1 Be2 Pb1\n1.0\n3.092803 0.000000 -0.000000\n0.000000 3.092803 -0.000000\n-0.000000 0.000000 6.723966\nLi Be Pb\n1 2 1\ndirect\n0.000000 0.000000 0.448503 Li\n0.000000 0.000000 0.095491 Be\n0.499999 0.499999 0.184584 Be\n0.499999 0.499999 0.771422 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Pb"
],
"chemical_system": "Be-Li-Pb",
"density": 5.993996735341848,
"density_atomic": 0.06219134748744576,
"volume": 64.31762876351021,
"volume_molar": 9.683245344082083,
"formula_full": "Li1 Be2 Pb1",
"formula_reduced": "LiBe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.243238255,
"spacegroup": 99
},
{
"id": "jvasp-69831",
"created_at": "2022-09-04T14:35:43.313566Z",
"updated_at": "2022-09-04T14:35:43.313595Z",
"structure_string": "Mg1 Be2 Cl1\n1.0\n2.972116 0.000000 0.000000\n-0.000000 2.972116 0.000000\n0.000000 0.000000 7.196839\nMg Be Cl\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Mg\n0.000000 0.000000 0.748392 Be\n0.000000 0.000000 0.251608 Be\n0.500001 0.500001 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Mg",
"density": 2.031687633663519,
"density_atomic": 0.06291970716910181,
"volume": 63.573086715894526,
"volume_molar": 9.571151918770076,
"formula_full": "Mg1 Be2 Cl1",
"formula_reduced": "MgBe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8434002959374999,
"spacegroup": 123
},
{
"id": "jvasp-71505",
"created_at": "2022-09-04T14:35:44.968832Z",
"updated_at": "2022-09-04T14:35:44.968856Z",
"structure_string": "Mg1 Be2 P1\n1.0\n3.121403 0.000000 -0.000000\n0.000000 3.121403 -0.000000\n-0.000000 -0.000000 5.502015\nMg Be P\n1 2 1\ndirect\n0.000000 0.000000 0.493816 Mg\n0.000000 0.000000 0.991747 Be\n0.500000 0.500000 0.194970 Be\n0.500000 0.500000 0.819469 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"P"
],
"chemical_system": "Be-Mg-P",
"density": 2.2706496817580315,
"density_atomic": 0.07461712890618921,
"volume": 53.60699424697665,
"volume_molar": 8.07072162689509,
"formula_full": "Mg1 Be2 P1",
"formula_reduced": "MgBe2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4993391875,
"spacegroup": 99
},
{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.839219516482609,
"density_atomic": 0.03983122970694325,
"volume": 100.42371348888416,
"volume_molar": 15.119143456799277,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-65598",
"created_at": "2022-09-04T14:35:44.930661Z",
"updated_at": "2022-09-04T14:35:44.930691Z",
"structure_string": "Ba1 Bi2 Cl1\n1.0\n4.202328 0.000000 0.000000\n0.000000 4.202138 0.000000\n0.000000 0.000000 7.821988\nBa Bi Cl\n1 2 1\ndirect\n0.500000 0.500000 0.297182 Ba\n0.000000 0.000000 0.959143 Bi\n0.500000 0.500000 0.800948 Bi\n0.000000 0.000000 0.442729 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 7.101803657553937,
"density_atomic": 0.02895893514749777,
"volume": 138.12662584541286,
"volume_molar": 20.795449588623256,
"formula_full": "Ba1 Bi2 Cl1",
"formula_reduced": "BaBi2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2774521209375,
"spacegroup": 99
},
{
"id": "jvasp-74650",
"created_at": "2022-09-04T14:35:44.925133Z",
"updated_at": "2022-09-04T14:35:44.925158Z",
"structure_string": "Be1 Sb2 Te1\n1.0\n5.243862 0.000000 0.000000\n0.000000 5.243862 -0.000000\n0.000000 -0.000000 3.599749\nBe Sb Te\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Te"
],
"chemical_system": "Be-Sb-Te",
"density": 6.3768912124845185,
"density_atomic": 0.04040966624189681,
"volume": 98.98621720990096,
"volume_molar": 14.90272333344895,
"formula_full": "Be1 Sb2 Te1",
"formula_reduced": "BeSb2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.651859016666667,
"spacegroup": 123
},
{
"id": "jvasp-70348",
"created_at": "2022-09-04T14:35:43.326451Z",
"updated_at": "2022-09-04T14:35:43.326480Z",
"structure_string": "Na1 La1 Be2\n1.0\n3.482853 0.000000 0.000000\n0.000000 3.482853 -0.000000\n0.000000 0.000000 7.243299\nNa La Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.746234 Be\n0.000000 0.000000 0.253766 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"La",
"Be"
],
"chemical_system": "Be-La-Na",
"density": 3.400328534143598,
"density_atomic": 0.04552534953751754,
"volume": 87.86313648626886,
"volume_molar": 13.228104388385072,
"formula_full": "Na1 La1 Be2",
"formula_reduced": "NaLaBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.34972905,
"spacegroup": 123
},
{
"id": "jvasp-73731",
"created_at": "2022-09-04T14:35:43.372886Z",
"updated_at": "2022-09-04T14:35:43.372917Z",
"structure_string": "Mg1 Be2 Sn1\n1.0\n3.510108 0.000000 -0.000000\n-0.000000 3.510108 -0.000000\n0.000000 0.000000 5.406201\nMg Be Sn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.000000 0.772965 Be\n-0.000000 0.000000 0.227035 Be\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Sn"
],
"chemical_system": "Be-Mg-Sn",
"density": 4.014652848478055,
"density_atomic": 0.060051912684962634,
"volume": 66.60903576850808,
"volume_molar": 10.02822473214576,
"formula_full": "Mg1 Be2 Sn1",
"formula_reduced": "MgBe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9336607375,
"spacegroup": 123
}
]
}