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=formula_anonymous&page=854",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=852",
"results": [
{
"id": "jvasp-12896",
"created_at": "2022-09-04T14:38:30.605583Z",
"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"I"
],
"chemical_system": "I-Pt",
"density": 7.545906675882588,
"density_atomic": 0.030369721684435,
"volume": 395.1303908771151,
"volume_molar": 19.82942360346506,
"formula_full": "Pt4 I8",
"formula_reduced": "PtI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54438465,
"spacegroup": 14
},
{
"id": "jvasp-57685",
"created_at": "2022-09-04T14:38:34.309524Z",
"updated_at": "2022-09-04T14:38:34.309547Z",
"structure_string": "Cu4 Se8\n1.0\n6.180998 0.000000 0.000000\n-0.000000 6.180998 0.000000\n0.000000 0.000000 6.180998\nCu Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.388991 0.388991 0.388991 Se\n0.111009 0.611009 0.888991 Se\n0.888991 0.111009 0.611009 Se\n0.611009 0.888991 0.111009 Se\n0.611009 0.611009 0.611009 Se\n0.888991 0.388991 0.111009 Se\n0.111009 0.888991 0.388991 Se\n0.388991 0.111009 0.888991 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.229315699530872,
"density_atomic": 0.05081658041507511,
"volume": 236.14339851250816,
"volume_molar": 11.850739878225822,
"formula_full": "Cu4 Se8",
"formula_reduced": "CuSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6633657277777778,
"spacegroup": 205
},
{
"id": "jvasp-54941",
"created_at": "2022-09-04T14:38:32.953772Z",
"updated_at": "2022-09-04T14:38:32.953788Z",
"structure_string": "Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 6.5897699153046565,
"density_atomic": 0.0635586243662085,
"volume": 188.80207241206284,
"volume_molar": 9.474938798709626,
"formula_full": "Ti4 Ga8",
"formula_reduced": "TiGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7355209944444447,
"spacegroup": 141
},
{
"id": "jvasp-116234",
"created_at": "2022-09-04T14:38:40.636626Z",
"updated_at": "2022-09-04T14:38:40.636645Z",
"structure_string": "La2 S1\n1.0\n3.871919 0.000000 0.000000\n0.000000 3.580160 0.000000\n0.000000 0.000000 7.404069\nLa S\n2 1\ndirect\n-0.033365 0.000000 0.731037 La\n-0.033365 0.000000 0.268962 La\n0.466730 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"S"
],
"chemical_system": "La-S",
"density": 5.013462812691791,
"density_atomic": 0.02922954789276874,
"volume": 102.63586734238153,
"volume_molar": 20.602921338683622,
"formula_full": "La2 S1",
"formula_reduced": "La2S",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3821033333333337,
"spacegroup": 47
},
{
"id": "jvasp-115181",
"created_at": "2022-09-04T14:38:45.074305Z",
"updated_at": "2022-09-04T14:38:45.074329Z",
"structure_string": "Li1 B2\n1.0\n3.333457 0.000000 -0.000000\n-1.666728 2.886858 0.000000\n0.000000 0.000000 2.685899\nLi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.835029119697417,
"density_atomic": 0.1160676784091551,
"volume": 25.846988938854903,
"volume_molar": 5.188473520398242,
"formula_full": "Li1 B2",
"formula_reduced": "LiB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.039405055555556,
"spacegroup": 191
},
{
"id": "jvasp-114461",
"created_at": "2022-09-04T14:38:40.858821Z",
"updated_at": "2022-09-04T14:38:40.858850Z",
"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.2650805049808396,
"density_atomic": 0.058101691390938875,
"volume": 51.6336087329096,
"volume_molar": 10.36482865787823,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 2.796566423888889,
"spacegroup": 8
},
{
"id": "jvasp-19617",
"created_at": "2022-09-04T14:38:30.930785Z",
"updated_at": "2022-09-04T14:38:30.930801Z",
"structure_string": "Th2 Ir4\n1.0\n4.736192 -0.000000 2.734442\n1.578730 4.465325 2.734442\n0.000000 -0.000000 5.468884\nTh Ir\n2 4\ndirect\n0.875000 0.874999 0.874999 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.000000 0.500000 Ir\n0.000000 0.499999 0.500000 Ir\n0.500000 0.499999 0.500000 Ir\n0.500000 0.499999 -0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ir"
],
"chemical_system": "Ir-Th",
"density": 17.701554477900537,
"density_atomic": 0.05187643999968034,
"volume": 115.65944000854668,
"volume_molar": 11.608623799237398,
"formula_full": "Th2 Ir4",
"formula_reduced": "ThIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4471792666666663,
"spacegroup": 227
},
{
"id": "jvasp-49291",
"created_at": "2022-09-04T14:38:32.568388Z",
"updated_at": "2022-09-04T14:38:32.568412Z",
"structure_string": "Si16 Os8\n1.0\n6.582039 -0.019600 -0.000000\n-1.466181 6.416693 0.000000\n-0.000000 0.000000 8.326468\nSi Os\n16 8\ndirect\n0.924000 0.177888 0.725570 Si\n0.850688 0.595411 0.057271 Si\n0.649312 0.904588 0.557272 Si\n0.095411 0.350687 0.442729 Si\n0.404589 0.149312 0.942729 Si\n0.350688 0.095411 0.442729 Si\n0.904589 0.649312 0.557272 Si\n0.595411 0.850687 0.057271 Si\n0.149312 0.404589 0.942729 Si\n0.322112 0.576000 0.225570 Si\n0.424000 0.677888 0.774430 Si\n0.076000 0.822111 0.274430 Si\n0.822112 0.076000 0.274430 Si\n0.677889 0.424000 0.774430 Si\n0.576000 0.322111 0.225570 Si\n0.177888 0.924000 0.725570 Si\n0.283474 0.716526 0.500000 Os\n0.809835 0.809835 0.816990 Os\n0.690165 0.690165 0.316990 Os\n0.309835 0.309835 0.683010 Os\n0.190165 0.190165 0.183010 Os\n0.716526 0.283474 0.500000 Os\n0.783474 0.216526 0.000000 Os\n0.216526 0.783473 0.000000 Os\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"Os"
],
"chemical_system": "Os-Si",
"density": 9.31417986412515,
"density_atomic": 0.06829270444328953,
"volume": 351.42846070665826,
"volume_molar": 8.818131906023437,
"formula_full": "Si16 Os8",
"formula_reduced": "Si2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 3.507610733333334,
"spacegroup": 64
},
{
"id": "jvasp-114562",
"created_at": "2022-09-04T14:38:42.311232Z",
"updated_at": "2022-09-04T14:38:42.311253Z",
"structure_string": "Ba1 Cl2\n1.0\n7.376410 0.000000 0.000000\n0.000000 4.608153 0.000000\n0.000000 0.000000 4.781280\nBa Cl\n1 2\ndirect\n0.000000 0.450651 0.000000 Ba\n0.253370 0.950674 0.000000 Cl\n0.746630 0.950674 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 2.1275635338880976,
"density_atomic": 0.018458871189501482,
"volume": 162.5234809432039,
"volume_molar": 32.62464263483839,
"formula_full": "Ba1 Cl2",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2303833333333333,
"spacegroup": 47
},
{
"id": "jvasp-36236",
"created_at": "2022-09-04T14:38:32.658338Z",
"updated_at": "2022-09-04T14:38:32.658355Z",
"structure_string": "Sm1 Hg2\n1.0\n5.000045 -0.000431 0.029251\n-2.500396 4.330812 -0.000000\n-0.019893 -0.011485 3.425391\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666649 0.333324 0.499767 Hg\n0.333351 0.666675 0.500232 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 12.347375498802048,
"density_atomic": 0.04044546177759958,
"volume": 74.17395841581238,
"volume_molar": 14.88953394354696,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0064199999999999,
"spacegroup": 191
},
{
"id": "jvasp-116265",
"created_at": "2022-09-04T14:38:40.951102Z",
"updated_at": "2022-09-04T14:38:40.951127Z",
"structure_string": "Li2 H1\n1.0\n2.652844 0.000000 -0.231936\n0.000000 3.060337 0.000000\n-0.652010 0.000000 5.212943\nLi H\n2 1\ndirect\n-0.138806 0.000000 -0.109549 Li\n0.072141 0.000000 0.376208 Li\n0.466665 0.000000 0.133342 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.5906814998120947,
"density_atomic": 0.07166920358494988,
"volume": 41.85898335599731,
"volume_molar": 8.402689661343768,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0995833333333336,
"spacegroup": 10
},
{
"id": "jvasp-116236",
"created_at": "2022-09-04T14:38:40.656115Z",
"updated_at": "2022-09-04T14:38:40.656146Z",
"structure_string": "La1 S2\n1.0\n4.338711 0.000000 0.136925\n0.000000 4.363091 0.000000\n-0.179735 0.000000 5.773861\nLa S\n1 2\ndirect\n0.466655 0.000000 0.133329 La\n-0.033142 0.000000 -0.165342 S\n-0.033514 0.000000 0.432014 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"S"
],
"chemical_system": "La-S",
"density": 3.0815786229459174,
"density_atomic": 0.027420381626127335,
"volume": 109.40766765774949,
"volume_molar": 21.96227916194223,
"formula_full": "La1 S2",
"formula_reduced": "LaS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.352581666666667,
"spacegroup": 47
}
]
}