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=616",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=614",
"results": [
{
"id": "jvasp-16462",
"created_at": "2022-09-04T14:38:14.080178Z",
"updated_at": "2022-09-04T14:38:14.080202Z",
"structure_string": "Ti1 Be1\n1.0\n2.928880 -0.000000 0.000000\n-0.000000 2.928880 -0.000000\n0.000000 -0.000000 2.928880\nTi Be\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 3.759219667521592,
"density_atomic": 0.07960223476279539,
"volume": 25.12492276077107,
"volume_molar": 7.565291072474559,
"formula_full": "Ti1 Be1",
"formula_reduced": "TiBe",
"formula_anonymous": "AB",
"energy_above_hull": 1.8202272166666664,
"spacegroup": 221
},
{
"id": "jvasp-90780",
"created_at": "2022-09-04T14:35:53.678863Z",
"updated_at": "2022-09-04T14:35:53.678891Z",
"structure_string": "Sr4 Mg4\n1.0\n7.843961 0.000000 0.000000\n0.000000 7.843961 -0.000000\n-0.000000 0.000000 7.843961\nSr Mg\n4 4\ndirect\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.540387248236766,
"density_atomic": 0.01657615159615207,
"volume": 482.6210688044801,
"volume_molar": 36.3301501260278,
"formula_full": "Sr4 Mg4",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.628524705882353,
"spacegroup": 216
},
{
"id": "jvasp-91526",
"created_at": "2022-09-04T14:36:00.761296Z",
"updated_at": "2022-09-04T14:36:00.761321Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 -4.062468 0.000000\n-8.121745 0.000000 0.000000\n0.000000 -0.000000 -5.747937\nMn Te\n4 4\ndirect\n0.750000 0.374985 0.250081 Mn\n0.750000 0.874985 0.249919 Mn\n0.250000 0.625014 0.749919 Mn\n0.250000 0.125014 0.750082 Mn\n0.750000 0.375013 0.750043 Te\n0.750000 0.875013 0.749957 Te\n0.250000 0.624987 0.249957 Te\n0.250000 0.124987 0.250043 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.393095345051884,
"density_atomic": 0.042183118673488625,
"volume": 189.6493254072242,
"volume_molar": 14.276186658016856,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.742892504022988,
"spacegroup": 225
},
{
"id": "jvasp-117545",
"created_at": "2022-09-04T14:38:51.690314Z",
"updated_at": "2022-09-04T14:38:51.690336Z",
"structure_string": "Ba1 C1\n1.0\n4.637983 0.000000 0.000000\n-0.000000 4.637983 -0.000000\n0.000000 0.000000 4.770406\nBa C\n1 1\ndirect\n0.000000 0.000000 0.749995 Ba\n0.000000 0.000000 0.250006 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 2.4166007633030504,
"density_atomic": 0.01949020235662349,
"volume": 102.61566111037972,
"volume_molar": 30.898297769358226,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 3.139462985,
"spacegroup": 123
},
{
"id": "jvasp-105935",
"created_at": "2022-09-04T14:35:53.912648Z",
"updated_at": "2022-09-04T14:35:53.912669Z",
"structure_string": "Nb2 Sb2\n1.0\n3.606584 0.000000 -0.000000\n-1.803292 3.123395 -0.000000\n-0.000000 -0.000000 7.658624\nNb Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.333332 0.666666 0.250000 Sb\n0.666666 0.333333 0.750000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Sb"
],
"chemical_system": "Nb-Sb",
"density": 8.263602436538028,
"density_atomic": 0.04636457471794935,
"volume": 86.27276372819742,
"volume_molar": 12.98866817313568,
"formula_full": "Nb2 Sb2",
"formula_reduced": "NbSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.30786775,
"spacegroup": 194
},
{
"id": "jvasp-90772",
"created_at": "2022-09-04T14:35:51.436230Z",
"updated_at": "2022-09-04T14:35:51.436256Z",
"structure_string": "Zr4 Sn4\n1.0\n3.114304 0.000000 0.000000\n0.000000 5.124718 0.000000\n0.000000 0.000000 12.429247\nZr Sn\n4 4\ndirect\n0.000000 0.000000 0.536827 Zr\n0.499999 0.000000 0.295477 Zr\n0.000000 0.500000 0.704523 Zr\n0.499999 0.500000 0.463172 Zr\n0.000000 0.000000 0.066714 Sn\n0.499999 0.000000 0.757740 Sn\n0.000000 0.500000 0.242260 Sn\n0.499999 0.500000 0.933286 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.02936468278546,
"density_atomic": 0.04032869719791531,
"volume": 198.36990916764697,
"volume_molar": 14.932643944449808,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.5127681,
"spacegroup": 59
},
{
"id": "jvasp-91919",
"created_at": "2022-09-04T14:35:59.883744Z",
"updated_at": "2022-09-04T14:35:59.883772Z",
"structure_string": "Ce4 Mg4\n1.0\n6.372529 -0.000000 0.000000\n0.000000 6.372529 -0.000000\n-0.000000 0.000000 6.372529\nCe Mg\n4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.220179392402338,
"density_atomic": 0.030913951797253227,
"volume": 258.7828321809966,
"volume_molar": 19.480333020817742,
"formula_full": "Ce4 Mg4",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy_above_hull": 1.1012302142857144,
"spacegroup": 225
},
{
"id": "jvasp-90831",
"created_at": "2022-09-04T14:35:49.158849Z",
"updated_at": "2022-09-04T14:35:49.158877Z",
"structure_string": "Mn4 Te4\n1.0\n-0.000000 -4.207326 0.000000\n-5.949028 0.000000 0.000000\n0.000000 0.000000 -7.287025\nMn Te\n4 4\ndirect\n0.750001 0.499990 0.749991 Mn\n0.750001 -0.000010 0.750008 Mn\n0.250000 0.500010 0.250009 Mn\n0.250000 0.000010 0.249992 Mn\n0.750001 0.250017 0.083358 Te\n0.750001 0.750017 0.416642 Te\n0.250000 0.749984 0.916642 Te\n0.250000 0.249984 0.583357 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.647526036854378,
"density_atomic": 0.04386191110301015,
"volume": 182.39059354281022,
"volume_molar": 13.729772845184378,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7197375040229883,
"spacegroup": 194
},
{
"id": "jvasp-62756",
"created_at": "2022-09-04T14:35:59.888124Z",
"updated_at": "2022-09-04T14:35:59.888146Z",
"structure_string": "B2 N2\n1.0\n1.256141 -2.175699 0.000000\n1.256139 2.175699 -0.000000\n-0.000000 -0.000000 6.583444\nB N\n2 2\ndirect\n0.666647 0.333293 0.250000 B\n0.333353 0.666708 0.749999 B\n0.666688 0.333375 0.749999 N\n0.333312 0.666625 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.2904489930007736,
"density_atomic": 0.11115781272412527,
"volume": 35.98487503462593,
"volume_molar": 5.41764956723818,
"formula_full": "B2 N2",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5131379166666665,
"spacegroup": 194
},
{
"id": "jvasp-14668",
"created_at": "2022-09-04T14:35:51.336273Z",
"updated_at": "2022-09-04T14:35:51.336284Z",
"structure_string": "Tm1 Pd1\n1.0\n3.444971 -0.000000 -0.000000\n-0.000000 3.444971 -0.000000\n0.000000 -0.000000 3.444971\nTm Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Pd"
],
"chemical_system": "Pd-Tm",
"density": 11.183663914666939,
"density_atomic": 0.04891851722908577,
"volume": 40.8843136155167,
"volume_molar": 12.310554573431304,
"formula_full": "Tm1 Pd1",
"formula_reduced": "TmPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.5116649750000002,
"spacegroup": 221
},
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.68647525971402,
"density_atomic": 0.05390874276386091,
"volume": 148.39893475243505,
"volume_molar": 11.170990921415244,
"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.4913528000000005,
"spacegroup": 63
},
{
"id": "jvasp-12148",
"created_at": "2022-09-04T14:35:51.271061Z",
"updated_at": "2022-09-04T14:35:51.271087Z",
"structure_string": "Co2 Se2\n1.0\n3.641835 0.000000 0.000000\n-0.000000 3.641835 0.000000\n0.000000 0.000000 5.441973\nCo Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.000000 Co\n0.499999 0.000000 0.735798 Se\n0.000000 0.499999 0.264202 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 6.344903393347655,
"density_atomic": 0.0554195605614124,
"volume": 72.17668201405993,
"volume_molar": 10.86645346696073,
"formula_full": "Co2 Se2",
"formula_reduced": "CoSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.4274121333333334,
"spacegroup": 129
}
]
}