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=-created_at&page=4507",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4505",
"results": [
{
"id": "jvasp-93509",
"created_at": "2022-09-04T14:35:45.274784Z",
"updated_at": "2022-09-04T14:35:45.274807Z",
"structure_string": "H2 C4\n1.0\n0.000000 -2.461181 0.000000\n0.005860 -0.000000 3.480992\n-6.008481 1.230590 -0.302149\nH C\n2 4\ndirect\n0.048536 0.759826 0.395452 H\n0.653084 0.240173 0.604548 H\n0.408453 0.576042 0.115287 C\n0.293165 0.423957 0.884712 C\n0.961989 0.646657 0.222356 C\n0.739633 0.353342 0.777644 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.6149310564997956,
"density_atomic": 0.11656730233355918,
"volume": 51.47241018609923,
"volume_molar": 5.166234989952456,
"formula_full": "H2 C4",
"formula_reduced": "HC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.349383333333332,
"spacegroup": 12
},
{
"id": "jvasp-66055",
"created_at": "2022-09-04T14:35:45.269392Z",
"updated_at": "2022-09-04T14:35:45.269421Z",
"structure_string": "Ba4 V1 P1\n1.0\n-0.000000 4.845276 4.845276\n4.845276 -0.000000 4.845276\n4.845276 4.845276 0.000000\nBa V P\n4 1 1\ndirect\n0.127269 0.624244 0.624244 Ba\n0.624244 0.624244 0.624244 Ba\n0.624244 0.127269 0.624244 Ba\n0.624244 0.624244 0.127269 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"P"
],
"chemical_system": "Ba-P-V",
"density": 4.607300457722487,
"density_atomic": 0.026373373948571883,
"volume": 227.5021774498784,
"volume_molar": 22.834168930161088,
"formula_full": "Ba4 V1 P1",
"formula_reduced": "Ba4VP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.35019893,
"spacegroup": 216
},
{
"id": "jvasp-28407",
"created_at": "2022-09-04T14:35:45.269169Z",
"updated_at": "2022-09-04T14:35:45.269187Z",
"structure_string": "W2 Se4\n1.0\n3.326671 0.000000 0.000000\n-1.663336 2.880981 -0.000000\n-0.000000 0.000000 20.793432\nW Se\n2 4\ndirect\n0.666666 0.333333 0.459477 W\n0.333332 0.666667 0.141623 W\n0.333332 0.666667 0.540312 Se\n0.666666 0.333333 0.222557 Se\n0.333332 0.666667 0.378543 Se\n0.666666 0.333333 0.060788 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"Se"
],
"chemical_system": "Se-W",
"density": 5.695395676953982,
"density_atomic": 0.030107509183958207,
"volume": 199.28583142961895,
"volume_molar": 20.00212213904662,
"formula_full": "W2 Se4",
"formula_reduced": "WSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0497822444444447,
"spacegroup": 164
},
{
"id": "jvasp-12054",
"created_at": "2022-09-04T14:35:45.266225Z",
"updated_at": "2022-09-04T14:35:45.266240Z",
"structure_string": "Mn3 Co1 O8\n1.0\n1.622464 -2.508041 -4.889388\n4.732270 1.397228 -2.503535\n0.000000 -2.987083 4.889388\nMn Co O\n3 1 8\ndirect\n-0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Co\n0.260771 0.212433 0.236602 O\n0.261381 0.215855 0.738618 O\n0.763397 0.212432 0.236602 O\n0.763397 0.212432 0.739228 O\n0.236602 0.787567 0.260771 O\n0.236601 0.787567 0.763397 O\n0.738618 0.784145 0.261381 O\n0.739228 0.787567 0.763397 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.632027693746537,
"density_atomic": 0.0951652543771706,
"volume": 126.09644222081442,
"volume_molar": 6.328087703241263,
"formula_full": "Mn3 Co1 O8",
"formula_reduced": "Mn3CoO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4582625520114942,
"spacegroup": 166
},
{
"id": "jvasp-90427",
"created_at": "2022-09-04T14:35:45.265417Z",
"updated_at": "2022-09-04T14:35:45.265443Z",
"structure_string": "Fe3 Ni3 As3\n1.0\n0.000000 0.000000 -3.572634\n-3.035212 -5.257142 0.000000\n-3.034981 5.257007 0.000000\nFe Ni As\n3 3 3\ndirect\n0.499999 0.594227 -0.000000 Fe\n0.499999 0.405774 0.405770 Fe\n0.499999 0.000005 0.594230 Fe\n0.000000 0.255213 -0.000000 Ni\n0.000000 0.744733 0.744746 Ni\n0.000000 -0.000012 0.255254 Ni\n0.000000 0.333332 0.666679 As\n0.000000 0.666653 0.333321 As\n0.499999 0.999971 -0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"As"
],
"chemical_system": "As-Fe-Ni",
"density": 8.278520473918025,
"density_atomic": 0.07894185938304375,
"volume": 114.00795560603615,
"volume_molar": 7.628577293548675,
"formula_full": "Fe3 Ni3 As3",
"formula_reduced": "FeNiAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9812498833333332,
"spacegroup": 189
},
{
"id": "jvasp-105669",
"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Hg",
"Br"
],
"chemical_system": "Al-Br-Hg-Rb",
"density": 4.454146600199461,
"density_atomic": 0.030553077140105245,
"volume": 327.299275098991,
"volume_molar": 19.710423052920866,
"formula_full": "Rb2 Al1 Hg1 Br6",
"formula_reduced": "Rb2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-74519",
"created_at": "2022-09-04T14:35:45.262302Z",
"updated_at": "2022-09-04T14:35:45.262322Z",
"structure_string": "Be1 Zn1 Sb2\n1.0\n-2.349522 2.349522 3.763980\n2.349522 -2.349522 3.763980\n2.349522 2.349522 -3.763980\nBe Zn Sb\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Sb"
],
"chemical_system": "Be-Sb-Zn",
"density": 6.35227880985709,
"density_atomic": 0.04812753970694434,
"volume": 83.11249701016482,
"volume_molar": 12.512878897757291,
"formula_full": "Be1 Zn1 Sb2",
"formula_reduced": "BeZnSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.999397175,
"spacegroup": 139
},
{
"id": "jvasp-90152",
"created_at": "2022-09-04T14:35:45.260002Z",
"updated_at": "2022-09-04T14:35:45.260030Z",
"structure_string": "Sc3 Ge3 Pd3\n1.0\n0.000000 0.000000 -3.925622\n-3.384824 -5.862685 0.000000\n-3.384767 5.862653 0.000000\nSc Ge Pd\n3 3 3\ndirect\n0.000000 0.421297 -0.000000 Sc\n0.000000 0.578685 0.578698 Sc\n0.000000 0.999987 0.421302 Sc\n0.500000 0.333323 0.666667 Ge\n0.500000 0.666656 0.333334 Ge\n0.000000 -0.000010 0.000000 Ge\n0.500000 0.749395 -0.000000 Pd\n0.500000 0.250579 0.250595 Pd\n0.500000 0.999984 0.749405 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sc",
"density": 7.162801820421019,
"density_atomic": 0.05776652260326886,
"volume": 155.799580698505,
"volume_molar": 10.424966725726403,
"formula_full": "Sc3 Ge3 Pd3",
"formula_reduced": "ScGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1902656333333332,
"spacegroup": 189
},
{
"id": "jvasp-70739",
"created_at": "2022-09-04T14:35:45.259845Z",
"updated_at": "2022-09-04T14:35:45.259865Z",
"structure_string": "Be1 Ge1 Se2\n1.0\n3.057100 -0.000000 0.000000\n0.000000 3.057100 0.000000\n0.000000 0.000000 8.480538\nBe Ge Se\n1 1 2\ndirect\n0.000000 0.000000 0.454247 Be\n0.500000 0.500000 0.689472 Ge\n0.000000 0.000000 0.996178 Se\n0.500000 0.500000 0.360104 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Se"
],
"chemical_system": "Be-Ge-Se",
"density": 5.01929580853461,
"density_atomic": 0.05046813972002676,
"volume": 79.25792434970057,
"volume_molar": 11.932559419483207,
"formula_full": "Be1 Ge1 Se2",
"formula_reduced": "BeGeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4148596958333333,
"spacegroup": 99
},
{
"id": "jvasp-90106",
"created_at": "2022-09-04T14:35:45.259101Z",
"updated_at": "2022-09-04T14:35:45.259127Z",
"structure_string": "Pu3 Ga3 Ni3\n1.0\n0.000000 0.000000 -4.408108\n-3.186364 -5.518947 0.000000\n-2.945838 5.380078 0.000000\nPu Ga Ni\n3 3 3\ndirect\n0.500000 0.505416 -0.000001 Pu\n0.500000 0.443071 0.349835 Pu\n0.500000 0.093236 0.650165 Pu\n0.000000 0.233304 -0.000000 Ga\n0.000000 0.756169 0.754892 Ga\n0.000000 0.001277 0.245108 Ga\n0.000000 0.350795 0.654863 Ni\n0.000000 0.695932 0.345137 Ni\n0.500000 0.920701 -0.000001 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pu",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Pu",
"density": 12.60056201419366,
"density_atomic": 0.06112702727173669,
"volume": 147.23438062824513,
"volume_molar": 9.851846276163439,
"formula_full": "Pu3 Ga3 Ni3",
"formula_reduced": "PuGaNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.521368241666666,
"spacegroup": 38
},
{
"id": "jvasp-71048",
"created_at": "2022-09-04T14:35:45.258484Z",
"updated_at": "2022-09-04T14:35:45.258500Z",
"structure_string": "Mg1 Be1 Sb2\n1.0\n3.583749 0.000000 -0.000000\n-0.000000 3.583749 -0.000000\n0.000000 -0.000000 7.437066\nMg Be Sb\n1 1 2\ndirect\n0.500000 0.500000 0.720045 Mg\n0.000000 0.000000 0.526950 Be\n0.000000 0.000000 0.903319 Sb\n0.500000 0.500000 0.349687 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Sb"
],
"chemical_system": "Be-Mg-Sb",
"density": 4.812787782276912,
"density_atomic": 0.0418777351705535,
"volume": 95.5161491830775,
"volume_molar": 14.380292380841293,
"formula_full": "Mg1 Be1 Sb2",
"formula_reduced": "MgBeSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0973468375,
"spacegroup": 99
},
{
"id": "jvasp-91538",
"created_at": "2022-09-04T14:35:45.252964Z",
"updated_at": "2022-09-04T14:35:45.252984Z",
"structure_string": "Nb4 Ga2 C2\n1.0\n-1.587325 -2.749343 -0.000000\n-1.587325 2.749343 0.000000\n0.000000 0.000000 -13.527495\nNb Ga C\n4 2 2\ndirect\n0.666667 0.333336 0.590483 Nb\n0.333336 0.666667 0.409517 Nb\n0.333336 0.666667 0.090483 Nb\n0.666667 0.333336 0.909517 Nb\n0.666679 0.333324 0.250000 Ga\n0.333324 0.666679 0.750000 Ga\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"C"
],
"chemical_system": "C-Ga-Nb",
"density": 7.5255135760619325,
"density_atomic": 0.0677560107683689,
"volume": 118.07070559907737,
"volume_molar": 8.88798010937705,
"formula_full": "Nb4 Ga2 C2",
"formula_reduced": "Nb2GaC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.00823528125,
"spacegroup": 194
}
]
}