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=updated_at&page=916",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=914",
"results": [
{
"id": "jvasp-64835",
"created_at": "2022-09-04T14:36:11.067716Z",
"updated_at": "2022-09-04T14:36:11.067739Z",
"structure_string": "Ba4 Tl1 Ga1\n1.0\n0.000000 5.038496 5.038496\n5.038496 0.000000 5.038496\n5.038496 5.038496 0.000000\nBa Tl Ga\n4 1 1\ndirect\n0.125319 0.624894 0.624894 Ba\n0.624894 0.624894 0.624894 Ba\n0.624894 0.125319 0.624894 Ba\n0.624894 0.624894 0.125319 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Ga"
],
"chemical_system": "Ba-Ga-Tl",
"density": 5.3448405352546935,
"density_atomic": 0.023454085303726776,
"volume": 255.81897235815973,
"volume_molar": 25.676297676989783,
"formula_full": "Ba4 Tl1 Ga1",
"formula_reduced": "Ba4TlGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-96855",
"created_at": "2022-09-04T14:36:11.068825Z",
"updated_at": "2022-09-04T14:36:11.068847Z",
"structure_string": "Ba4 Ca2 V4 Cu2 F28\n1.0\n5.402758 0.000000 0.000000\n-2.701379 6.967356 -0.238559\n0.000000 -0.084567 14.907225\nBa Ca V Cu F\n4 2 4 2 28\ndirect\n0.743369 0.628032 0.876817 Ba\n0.884664 0.628032 0.376817 Ba\n0.115336 0.371968 0.623182 Ba\n0.256632 0.371968 0.123182 Ba\n0.572000 -0.000000 0.250000 Ca\n0.428000 -0.000000 0.750000 Ca\n0.106655 0.248282 0.876470 V\n0.858373 0.751718 0.623530 V\n0.893345 0.751718 0.123530 V\n0.141627 0.248283 0.376470 V\n0.500000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.871673 0.287096 0.452829 F\n0.831506 0.487550 0.099617 F\n0.656044 0.487549 0.599616 F\n0.168297 0.754518 0.207718 F\n0.586221 0.754518 0.707718 F\n0.637985 0.680096 0.223122 F\n0.479931 0.104870 0.119033 F\n0.899857 0.181359 0.982184 F\n0.168495 0.512450 0.900383 F\n0.362015 0.319905 0.776877 F\n0.926333 0.010202 0.154806 F\n0.415423 0.287096 0.952829 F\n0.343956 0.512451 0.400383 F\n0.624938 0.104869 0.619033 F\n0.083869 0.010201 0.654806 F\n0.520069 0.895131 0.880967 F\n0.100143 0.818642 0.017816 F\n0.073667 0.989799 0.845194 F\n0.584577 0.712904 0.047171 F\n0.375062 0.895131 0.380967 F\n0.916131 0.989799 0.345194 F\n0.957890 0.319905 0.276878 F\n0.281502 0.181359 0.482184 F\n0.831703 0.245482 0.792282 F\n0.413779 0.245482 0.292282 F\n0.128327 0.712904 0.547171 F\n0.042110 0.680095 0.723122 F\n0.718498 0.818641 0.517815 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"V",
"Cu",
"F"
],
"chemical_system": "Ba-Ca-Cu-F-V",
"density": 4.4167484801158645,
"density_atomic": 0.0712958141046164,
"volume": 561.0427554878008,
"volume_molar": 8.446696114814499,
"formula_full": "Ba4 Ca2 V4 Cu2 F28",
"formula_reduced": "Ba2CaV2CuF14",
"formula_anonymous": "ABC2D2E14",
"energy_above_hull": 0.16717525825,
"spacegroup": 15
},
{
"id": "jvasp-86895",
"created_at": "2022-09-04T14:36:11.069580Z",
"updated_at": "2022-09-04T14:36:11.069602Z",
"structure_string": "Sm4 Zn4 Sn4\n1.0\n4.537667 0.000000 0.000000\n-2.268833 3.929736 -0.000000\n0.000000 -0.000000 16.251105\nSm Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.750000 Sm\n0.000000 0.000000 0.250000 Sm\n0.333334 0.666668 0.159928 Zn\n0.666668 0.333333 0.659928 Zn\n0.666668 0.333333 0.840072 Zn\n0.333334 0.666668 0.340072 Zn\n0.666668 0.333333 0.386075 Sn\n0.666668 0.333333 0.113926 Sn\n0.333334 0.666668 0.886075 Sn\n0.333334 0.666668 0.613926 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Sn"
],
"chemical_system": "Sm-Sn-Zn",
"density": 7.6665337425207305,
"density_atomic": 0.041409725592373006,
"volume": 289.7869963719393,
"volume_molar": 14.542817354745234,
"formula_full": "Sm4 Zn4 Sn4",
"formula_reduced": "SmZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-70415",
"created_at": "2022-09-04T14:36:11.071453Z",
"updated_at": "2022-09-04T14:36:11.071469Z",
"structure_string": "Be2 Cu1 Hg1\n1.0\n-1.813329 1.813329 3.810103\n1.813329 -1.813329 3.810103\n1.813329 1.813329 -3.810103\nBe Cu Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Cu\n0.750000 0.250000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Hg"
],
"chemical_system": "Be-Cu-Hg",
"density": 9.349646317195136,
"density_atomic": 0.07981969600496046,
"volume": 50.11294455132248,
"volume_molar": 7.544680149653475,
"formula_full": "Be2 Cu1 Hg1",
"formula_reduced": "Be2CuHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.68665734375,
"spacegroup": 119
},
{
"id": "jvasp-48660",
"created_at": "2022-09-04T14:36:11.075869Z",
"updated_at": "2022-09-04T14:36:11.075904Z",
"structure_string": "Li1 Y3 W1 O8\n1.0\n6.225830 0.575493 0.000056\n3.172039 5.387908 0.000079\n-0.000140 -0.000060 6.125958\nLi Y W O\n1 3 1 8\ndirect\n0.499998 0.500003 0.000002 Li\n0.000034 0.499963 0.743404 Y\n0.500035 0.999967 0.256592 Y\n0.500022 0.499978 0.500005 Y\n-0.000009 0.000011 0.000004 W\n0.176319 0.176407 0.000075 O\n0.304577 0.304253 0.500120 O\n0.216974 0.724333 0.786568 O\n0.275663 0.783026 0.213440 O\n0.724269 0.216957 0.213419 O\n0.783044 0.275734 0.786590 O\n0.695747 0.695423 0.499879 O\n0.823593 0.823680 0.999925 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Y",
"W",
"O"
],
"chemical_system": "Li-O-W-Y",
"density": 5.003590833396857,
"density_atomic": 0.06690426124778799,
"volume": 194.30750385020968,
"volume_molar": 9.001131837770805,
"formula_full": "Li1 Y3 W1 O8",
"formula_reduced": "LiY3WO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.2160372576923075,
"spacegroup": 21
},
{
"id": "jvasp-91558",
"created_at": "2022-09-04T14:36:11.082161Z",
"updated_at": "2022-09-04T14:36:11.082191Z",
"structure_string": "Ca2 Fe2 O4\n1.0\n0.000000 -0.000000 3.185337\n5.415560 -0.000000 -0.000000\n-0.000000 5.415560 0.000000\nCa Fe O\n2 2 4\ndirect\n0.500007 0.500000 0.000000 Ca\n0.499994 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n-0.000052 0.749969 0.249969 O\n0.000052 0.750031 0.749969 O\n-0.000052 0.250031 0.750031 O\n0.000052 0.249969 0.250031 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.547592326335546,
"density_atomic": 0.08563432071078615,
"volume": 93.42048764558429,
"volume_molar": 7.03239158086937,
"formula_full": "Ca2 Fe2 O4",
"formula_reduced": "CaFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3891407299999998,
"spacegroup": 123
},
{
"id": "jvasp-66081",
"created_at": "2022-09-04T14:36:11.086396Z",
"updated_at": "2022-09-04T14:36:11.086428Z",
"structure_string": "Ba4 Re1 Pb1\n1.0\n-0.000000 4.803557 4.803557\n4.803557 -0.000000 4.803557\n4.803557 4.803557 0.000000\nBa Re Pb\n4 1 1\ndirect\n0.123035 0.625655 0.625655 Ba\n0.625655 0.625655 0.625655 Ba\n0.625655 0.123035 0.625655 Ba\n0.625655 0.625655 0.123035 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Pb"
],
"chemical_system": "Ba-Pb-Re",
"density": 7.061722928472565,
"density_atomic": 0.027066519254330856,
"volume": 221.67608415477926,
"volume_molar": 22.249409698428106,
"formula_full": "Ba4 Re1 Pb1",
"formula_reduced": "Ba4RePb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3291771166666666,
"spacegroup": 216
},
{
"id": "jvasp-42854",
"created_at": "2022-09-04T14:36:11.089515Z",
"updated_at": "2022-09-04T14:36:11.089540Z",
"structure_string": "Ag1 Hg1 Pd2\n1.0\n-0.000001 3.250592 3.250591\n3.250591 0.000000 3.250591\n3.250591 3.250592 -0.000001\nAg Hg Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ag\n0.750000 0.750001 0.750000 Hg\n0.499999 0.499999 0.499999 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Hg",
"Pd"
],
"chemical_system": "Ag-Hg-Pd",
"density": 12.601379016299163,
"density_atomic": 0.058229457329788514,
"volume": 68.69375370176625,
"volume_molar": 10.342086353120186,
"formula_full": "Ag1 Hg1 Pd2",
"formula_reduced": "AgHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.324918315,
"spacegroup": 225
},
{
"id": "jvasp-92402",
"created_at": "2022-09-04T14:36:11.090500Z",
"updated_at": "2022-09-04T14:36:11.090519Z",
"structure_string": "Pr1 Ni2 Sb2\n1.0\n4.071814 0.000000 -1.642787\n-0.662789 4.017509 -1.642788\n0.128308 0.151210 6.185615\nPr Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.363121 0.363121 0.726241 Sb\n0.636879 0.636879 0.273758 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Pr-Sb",
"density": 8.073612490534543,
"density_atomic": 0.048444630158114586,
"volume": 103.21061351239335,
"volume_molar": 12.430976849951813,
"formula_full": "Pr1 Ni2 Sb2",
"formula_reduced": "Pr(NiSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3716913699999995,
"spacegroup": 139
},
{
"id": "jvasp-97004",
"created_at": "2022-09-04T14:36:11.091524Z",
"updated_at": "2022-09-04T14:36:11.091546Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.541532 -0.000873 0.141080\n1.439716 7.394833 1.675665\n-0.017304 -0.003255 8.527656\nRb Mn O\n6 6 12\ndirect\n0.158407 0.113138 0.118500 Rb\n0.841594 0.886862 0.881501 Rb\n0.822737 0.873892 0.469489 Rb\n0.017450 0.456525 0.764726 Rb\n0.177264 0.126108 0.530512 Rb\n0.982551 0.543475 0.235275 Rb\n0.582860 0.319073 0.784851 Mn\n0.597617 0.320862 0.117515 Mn\n0.402384 0.679138 0.882487 Mn\n0.400211 0.674860 0.550143 Mn\n0.417141 0.680927 0.215150 Mn\n0.599790 0.325140 0.449859 Mn\n0.388918 0.384351 0.605041 O\n0.228000 0.779472 0.362784 O\n0.790492 0.236937 0.298398 O\n0.226687 0.770870 0.037246 O\n0.611083 0.615648 0.394960 O\n0.388106 0.381853 0.944818 O\n0.603218 0.628846 0.722180 O\n0.772001 0.220528 0.637217 O\n0.773314 0.229129 0.962755 O\n0.396783 0.371154 0.277821 O\n0.209509 0.763063 0.701604 O\n0.611895 0.618146 0.055183 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.163366256419147,
"density_atomic": 0.058171002620619264,
"volume": 412.5766948959716,
"volume_molar": 10.35247887899631,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5833810603448275,
"spacegroup": 2
},
{
"id": "jvasp-65087",
"created_at": "2022-09-04T14:36:11.092981Z",
"updated_at": "2022-09-04T14:36:11.093006Z",
"structure_string": "Be2 V1 Mo1\n1.0\n3.097447 0.000000 0.000000\n0.000000 3.097447 0.000000\n-0.000000 0.000000 5.127350\nBe V Mo\n2 1 1\ndirect\n0.000000 0.000000 0.004917 Be\n0.500000 0.500000 0.244365 Be\n0.500000 0.500000 0.745108 V\n0.000000 0.000000 0.505610 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Mo"
],
"chemical_system": "Be-Mo-V",
"density": 5.566528857606825,
"density_atomic": 0.08131286425738,
"volume": 49.19270814687797,
"volume_molar": 7.406135320652447,
"formula_full": "Be2 V1 Mo1",
"formula_reduced": "Be2VMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.555810575,
"spacegroup": 99
},
{
"id": "jvasp-63109",
"created_at": "2022-09-04T14:36:11.096886Z",
"updated_at": "2022-09-04T14:36:11.096902Z",
"structure_string": "Lu4 B16 Ru4\n1.0\n3.533016 0.000000 0.000000\n0.000000 5.895987 0.000000\n0.000000 -0.000000 11.396236\nLu B Ru\n4 16 4\ndirect\n0.000000 0.129260 0.850149 Lu\n0.000000 0.870740 0.149852 Lu\n0.000000 0.370740 0.350149 Lu\n0.000000 0.629261 0.649852 Lu\n0.500001 0.976329 0.692850 B\n0.500001 0.023672 0.307150 B\n0.500001 0.523672 0.192850 B\n0.500001 0.476328 0.807151 B\n0.500001 0.886987 0.547518 B\n0.500001 0.113013 0.452483 B\n0.500001 0.613013 0.047518 B\n0.500001 0.386987 0.952483 B\n0.500001 0.865295 0.970374 B\n0.500001 0.134706 0.029626 B\n0.500001 0.634706 0.470374 B\n0.500001 0.365294 0.529626 B\n0.500001 0.792066 0.813916 B\n0.500001 0.207935 0.186085 B\n0.500001 0.707935 0.313915 B\n0.500001 0.292066 0.686085 B\n0.000000 0.142050 0.593613 Ru\n0.000000 0.857951 0.406387 Ru\n0.000000 0.357951 0.093613 Ru\n0.000000 0.642050 0.906387 Ru\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Lu-Ru",
"density": 8.933437595625099,
"density_atomic": 0.10109919229165887,
"volume": 237.39062059727362,
"volume_molar": 5.956665551418904,
"formula_full": "Lu4 B16 Ru4",
"formula_reduced": "LuB4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.281256097222223,
"spacegroup": 55
}
]
}