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=-spacegroup&page=85",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=83",
"results": [
{
"id": "jvasp-14638",
"created_at": "2022-09-04T14:36:18.730366Z",
"updated_at": "2022-09-04T14:36:18.730390Z",
"structure_string": "Yb2 Co4\n1.0\n4.303606 0.000000 2.484688\n1.434535 4.057479 2.484688\n0.000000 -0.000000 4.969376\nYb Co\n2 4\ndirect\n0.875002 0.875000 0.875000 Yb\n0.125000 0.125000 0.125000 Yb\n0.500001 0.500000 0.500000 Co\n0.500001 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Co"
],
"chemical_system": "Co-Yb",
"density": 11.133756294114606,
"density_atomic": 0.0691449723196505,
"volume": 86.77420495972696,
"volume_molar": 8.709441276742766,
"formula_full": "Yb2 Co4",
"formula_reduced": "YbCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.656684166666667,
"spacegroup": 227
},
{
"id": "jvasp-42763",
"created_at": "2022-09-04T14:36:19.018811Z",
"updated_at": "2022-09-04T14:36:19.018833Z",
"structure_string": "Li4 Fe4 O8\n1.0\n-5.679821 -0.000132 0.000188\n-2.839869 -4.918712 0.000169\n-2.839870 1.639531 4.637421\nLi Fe O\n4 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.984175 0.757923 0.773727 O\n0.984175 0.757902 0.242098 O\n0.484175 0.773727 0.757924 O\n0.515825 0.757902 0.242097 O\n0.484175 0.242098 0.757903 O\n0.515825 0.226273 0.242077 O\n0.015825 0.242097 0.757902 O\n0.015825 0.242077 0.226273 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.859566257935511,
"density_atomic": 0.12350078091823782,
"volume": 129.55383667243856,
"volume_molar": 4.876196502746719,
"formula_full": "Li4 Fe4 O8",
"formula_reduced": "LiFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7921856249999997,
"spacegroup": 227
},
{
"id": "jvasp-93573",
"created_at": "2022-09-04T14:36:19.532172Z",
"updated_at": "2022-09-04T14:36:19.532208Z",
"structure_string": "Ce2 Ru4\n1.0\n-3.782503 -3.782503 -0.000000\n-3.782503 0.000000 -3.782503\n-0.000000 -3.782503 -3.782503\nCe Ru\n2 4\ndirect\n0.749999 0.749999 0.749999 Ce\n0.000000 0.000000 0.000000 Ce\n0.874999 0.375000 0.375000 Ru\n0.375000 0.874999 0.375000 Ru\n0.375000 0.375000 0.874999 Ru\n0.375000 0.375000 0.375000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ru"
],
"chemical_system": "Ce-Ru",
"density": 10.501765692415486,
"density_atomic": 0.05543491823382532,
"volume": 108.23502931296677,
"volume_molar": 10.863443028090199,
"formula_full": "Ce2 Ru4",
"formula_reduced": "CeRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.210388833333333,
"spacegroup": 227
},
{
"id": "jvasp-88176",
"created_at": "2022-09-04T14:36:19.546620Z",
"updated_at": "2022-09-04T14:36:19.546644Z",
"structure_string": "Sr8 Li4 C4 Br12 N8\n1.0\n8.945669 0.000000 5.164784\n2.981889 8.434059 5.164784\n0.000000 0.000000 10.329570\nSr Li C Br N\n8 4 4 12 8\ndirect\n0.833695 0.222102 0.222101 Sr\n0.166306 0.777898 0.777898 Sr\n0.777898 0.166305 0.777898 Sr\n0.222102 0.222102 0.833694 Sr\n0.777898 0.777898 0.166305 Sr\n0.777898 0.777898 0.777898 Sr\n0.222102 0.833695 0.222101 Sr\n0.222102 0.222102 0.222102 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n0.000000 0.500000 -0.000000 C\n0.428794 0.821206 0.821206 Br\n0.571206 0.178794 0.178793 Br\n0.428794 0.821206 0.428793 Br\n0.178794 0.571206 0.571206 Br\n0.821206 0.428794 0.821206 Br\n0.428794 0.428794 0.821206 Br\n0.821206 0.821206 0.428793 Br\n0.571206 0.178794 0.571206 Br\n0.821206 0.428794 0.428793 Br\n0.178794 0.178794 0.571206 Br\n0.571206 0.571206 0.178793 Br\n0.178794 0.571206 0.178793 Br\n0.048618 0.048618 0.354144 N\n0.354144 0.048618 0.048618 N\n0.951382 0.951382 0.645856 N\n0.951382 0.951382 0.951381 N\n0.048619 0.354144 0.048618 N\n0.048618 0.048618 0.048618 N\n0.645857 0.951382 0.951381 N\n0.951382 0.645857 0.951381 N\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"Li",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-Li-N-Sr",
"density": 3.9367825426593583,
"density_atomic": 0.04619242881339197,
"volume": 779.3484976820051,
"volume_molar": 13.037073205932135,
"formula_full": "Sr8 Li4 C4 Br12 N8",
"formula_reduced": "Sr2LiCBr3N2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.880663492777778,
"spacegroup": 227
},
{
"id": "jvasp-19890",
"created_at": "2022-09-04T14:36:20.228412Z",
"updated_at": "2022-09-04T14:36:20.228434Z",
"structure_string": "La2 Pt4\n1.0\n4.815992 0.000000 2.780514\n1.605330 4.540560 2.780514\n-0.000000 -0.000000 5.561028\nLa Pt\n2 4\ndirect\n0.875000 0.875000 0.874999 La\n0.125000 0.125000 0.125000 La\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 14.449233865040995,
"density_atomic": 0.04934020991801367,
"volume": 121.60467111854452,
"volume_molar": 12.205340775823029,
"formula_full": "La2 Pt4",
"formula_reduced": "LaPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7360159333333334,
"spacegroup": 227
},
{
"id": "jvasp-49789",
"created_at": "2022-09-04T14:36:20.835841Z",
"updated_at": "2022-09-04T14:36:20.835870Z",
"structure_string": "Zr6 N8\n1.0\n-4.586276 4.586276 0.000000\n4.586276 -0.000000 4.586276\n4.586276 4.586276 -0.000000\nZr N\n6 8\ndirect\n0.500000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.125000 0.250000 0.125000 Zr\n0.500000 0.500000 0.500000 Zr\n0.875001 0.750001 0.875001 Zr\n0.000000 0.500000 0.500000 Zr\n0.742089 0.484177 0.273737 N\n0.742089 0.015823 0.742089 N\n0.742089 0.484177 0.742089 N\n0.273737 0.015823 0.742089 N\n0.257912 0.515824 0.257912 N\n0.726264 0.984177 0.257912 N\n0.257912 0.515824 0.726264 N\n0.257912 0.984177 0.257912 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.675261840474075,
"density_atomic": 0.0725633759222106,
"volume": 192.93479419987685,
"volume_molar": 8.299146344094929,
"formula_full": "Zr6 N8",
"formula_reduced": "Zr3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.224013785714285,
"spacegroup": 227
},
{
"id": "jvasp-95057",
"created_at": "2022-09-04T14:36:21.012511Z",
"updated_at": "2022-09-04T14:36:21.012529Z",
"structure_string": "Fe4 Ni2\n1.0\n-3.265815 -3.265815 -0.000000\n-3.265815 0.000000 -3.265815\n0.000000 -3.265815 -3.265815\nFe Ni\n4 2\ndirect\n0.874999 0.374999 0.374999 Fe\n0.374999 0.874999 0.374999 Fe\n0.374999 0.374999 0.874999 Fe\n0.374999 0.374999 0.374999 Fe\n0.749999 0.749999 0.749999 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.122722930137446,
"density_atomic": 0.08612842716486184,
"volume": 69.66341076350044,
"volume_molar": 6.992047757324979,
"formula_full": "Fe4 Ni2",
"formula_reduced": "Fe2Ni",
"formula_anonymous": "AB2",
"energy_above_hull": 2.393951133333333,
"spacegroup": 227
},
{
"id": "jvasp-14649",
"created_at": "2022-09-04T14:36:21.417393Z",
"updated_at": "2022-09-04T14:36:21.417425Z",
"structure_string": "Np2 Co4\n1.0\n4.193684 0.000000 2.421225\n1.397894 3.953844 2.421225\n-0.000000 -0.000000 4.842449\nNp Co\n2 4\ndirect\n0.874999 0.874999 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.499999 0.500000 0.500000 Co\n0.499999 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Co"
],
"chemical_system": "Co-Np",
"density": 14.677891512143384,
"density_atomic": 0.07472586691854634,
"volume": 80.2934813260875,
"volume_molar": 8.05897744426884,
"formula_full": "Np2 Co4",
"formula_reduced": "NpCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.004783933333334,
"spacegroup": 227
},
{
"id": "jvasp-93356",
"created_at": "2022-09-04T14:36:21.827336Z",
"updated_at": "2022-09-04T14:36:21.827362Z",
"structure_string": "Zr2 Co4\n1.0\n-3.442703 -3.442703 -0.000000\n-3.442703 0.000000 -3.442703\n0.000000 -3.442703 -3.442703\nZr Co\n2 4\ndirect\n0.749999 0.749999 0.749999 Zr\n0.000000 0.000000 0.000000 Zr\n0.874999 0.375000 0.375000 Co\n0.375000 0.874999 0.375000 Co\n0.375000 0.375000 0.874999 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 8.509117018641902,
"density_atomic": 0.07352289186597472,
"volume": 81.60723616445111,
"volume_molar": 8.190837720281452,
"formula_full": "Zr2 Co4",
"formula_reduced": "ZrCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.097548766666667,
"spacegroup": 227
},
{
"id": "jvasp-93707",
"created_at": "2022-09-04T14:36:21.970985Z",
"updated_at": "2022-09-04T14:36:21.971004Z",
"structure_string": "Sc2 Co4\n1.0\n-3.413606 -3.413606 0.000000\n-3.413606 0.000000 -3.413606\n0.000000 -3.413606 -3.413606\nSc Co\n2 4\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Sc\n0.875001 0.375000 0.375000 Co\n0.375000 0.875001 0.375000 Co\n0.375000 0.375000 0.875001 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 6.79708668178025,
"density_atomic": 0.07541905304178952,
"volume": 79.5554937115879,
"volume_molar": 7.984906356041287,
"formula_full": "Sc2 Co4",
"formula_reduced": "ScCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.579589016666666,
"spacegroup": 227
},
{
"id": "jvasp-93679",
"created_at": "2022-09-04T14:36:22.267645Z",
"updated_at": "2022-09-04T14:36:22.267670Z",
"structure_string": "Hg4 N2\n1.0\n-5.113646 -5.113646 0.000000\n-5.113646 0.000000 -5.113646\n0.000000 -5.113646 -5.113646\nHg N\n4 2\ndirect\n0.375000 0.875001 0.875001 Hg\n0.875001 0.375000 0.875001 Hg\n0.875001 0.875001 0.375000 Hg\n0.875001 0.875001 0.875001 Hg\n0.750001 0.750001 0.750001 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 5.15585328237271,
"density_atomic": 0.02243516534736285,
"volume": 267.43729796960343,
"volume_molar": 26.84241754745024,
"formula_full": "Hg4 N2",
"formula_reduced": "Hg2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9101074833333328,
"spacegroup": 227
},
{
"id": "jvasp-94319",
"created_at": "2022-09-04T14:36:22.405342Z",
"updated_at": "2022-09-04T14:36:22.405369Z",
"structure_string": "Ce2 Se4\n1.0\n-6.245515 -6.245515 0.000000\n-6.245515 0.000000 -6.245515\n0.000000 -6.245515 -6.245515\nCe Se\n2 4\ndirect\n0.750001 0.750001 0.750001 Ce\n0.000000 0.000000 0.000000 Ce\n0.375000 0.875001 0.875001 Se\n0.875001 0.375000 0.875001 Se\n0.875001 0.875001 0.375000 Se\n0.875001 0.875001 0.875001 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.031482363101004,
"density_atomic": 0.012314491618072423,
"volume": 487.230832265504,
"volume_molar": 48.902877575246904,
"formula_full": "Ce2 Se4",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1680107444444443,
"spacegroup": 227
}
]
}