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=3524",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=3522",
"results": [
{
"id": "jvasp-2196",
"created_at": "2022-09-04T14:36:18.077000Z",
"updated_at": "2022-09-04T14:36:18.077021Z",
"structure_string": "Sn1 F4\n1.0\n3.758151 -0.000000 -1.707986\n-0.776245 3.677088 -1.708004\n-0.046486 -0.057353 4.886312\nSn F\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.755610 0.755591 0.511222 F\n-0.000001 0.500000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n0.244388 0.244411 0.488778 F\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.840879343221086,
"density_atomic": 0.07486367714982689,
"volume": 66.78806318841849,
"volume_molar": 8.044142352168612,
"formula_full": "Sn1 F4",
"formula_reduced": "SnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-65763",
"created_at": "2022-09-04T14:36:18.072181Z",
"updated_at": "2022-09-04T14:36:18.072214Z",
"structure_string": "Ba1 Li1 Bi2\n1.0\n4.223348 -0.000000 -0.000000\n0.000000 4.223348 0.000000\n0.000000 -0.000000 7.312048\nBa Li Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.794362 Bi\n0.000000 0.000000 0.205638 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Bi"
],
"chemical_system": "Ba-Bi-Li",
"density": 7.158292089333402,
"density_atomic": 0.030669537083875844,
"volume": 130.42257498248821,
"volume_molar": 19.635577620654963,
"formula_full": "Ba1 Li1 Bi2",
"formula_reduced": "BaLiBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4266486425,
"spacegroup": 123
},
{
"id": "jvasp-90189",
"created_at": "2022-09-04T14:36:18.071653Z",
"updated_at": "2022-09-04T14:36:18.071673Z",
"structure_string": "Zr6 Cu1 Bi2\n1.0\n0.000000 0.000000 -3.815986\n-3.926570 -6.801017 0.000000\n-3.926710 6.801098 0.000000\nZr Cu Bi\n6 1 2\ndirect\n0.500001 0.605535 -0.000000 Zr\n0.500001 0.394443 0.394460 Zr\n0.500001 0.999983 0.605540 Zr\n0.000000 0.238036 -0.000000 Zr\n0.000000 0.761948 0.761960 Zr\n0.000000 0.999987 0.238039 Zr\n0.500001 -0.000001 0.000000 Cu\n0.000000 0.333318 0.666666 Bi\n0.000000 0.666652 0.333334 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Zr",
"density": 8.382377121517544,
"density_atomic": 0.04415787930763559,
"volume": 203.81413557701714,
"volume_molar": 13.637749036916901,
"formula_full": "Zr6 Cu1 Bi2",
"formula_reduced": "Zr6CuBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5509006722222227,
"spacegroup": 189
},
{
"id": "jvasp-63225",
"created_at": "2022-09-04T14:36:18.070346Z",
"updated_at": "2022-09-04T14:36:18.070370Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.6416465966753586,
"density_atomic": 0.09279110962286868,
"volume": 107.76894511384813,
"volume_molar": 6.489997570323077,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-64418",
"created_at": "2022-09-04T14:36:18.065598Z",
"updated_at": "2022-09-04T14:36:18.065624Z",
"structure_string": "K1 Ba1 Ti1\n1.0\n0.000000 4.236934 4.236934\n4.236934 -0.000000 4.236934\n4.236934 4.236934 -0.000000\nK Ba Ti\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Ti"
],
"chemical_system": "Ba-K-Ti",
"density": 2.4483774418557873,
"density_atomic": 0.019721328275950144,
"volume": 152.11957115781362,
"volume_molar": 30.536182328773,
"formula_full": "K1 Ba1 Ti1",
"formula_reduced": "KBaTi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2056907677777775,
"spacegroup": 216
},
{
"id": "jvasp-71167",
"created_at": "2022-09-04T14:36:18.064815Z",
"updated_at": "2022-09-04T14:36:18.064841Z",
"structure_string": "Be1 Co1 Mo2\n1.0\n2.659401 0.000000 0.000000\n0.000000 2.659401 0.000000\n0.000000 0.000000 7.017784\nBe Co Mo\n1 1 2\ndirect\n0.000000 0.000000 0.541723 Be\n0.500000 0.500000 0.708679 Co\n0.000000 0.000000 0.958456 Mo\n0.500000 0.500000 0.291141 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Mo"
],
"chemical_system": "Be-Co-Mo",
"density": 8.692866522642852,
"density_atomic": 0.08059207523110865,
"volume": 49.63267155647079,
"volume_molar": 7.472373360197885,
"formula_full": "Be1 Co1 Mo2",
"formula_reduced": "BeCoMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.252902199999999,
"spacegroup": 99
},
{
"id": "jvasp-71044",
"created_at": "2022-09-04T14:36:18.063907Z",
"updated_at": "2022-09-04T14:36:18.063940Z",
"structure_string": "Be2 Nb1 Cu1\n1.0\n4.260249 0.000000 -0.000000\n-0.000000 4.260249 0.000000\n-0.000000 0.000000 2.659557\nBe Nb Cu\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Cu"
],
"chemical_system": "Be-Cu-Nb",
"density": 6.0021573503684245,
"density_atomic": 0.08286682938117763,
"volume": 48.27021897507955,
"volume_molar": 7.2672513295988,
"formula_full": "Be2 Nb1 Cu1",
"formula_reduced": "Be2NbCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2233855125,
"spacegroup": 123
},
{
"id": "jvasp-94850",
"created_at": "2022-09-04T14:36:18.062013Z",
"updated_at": "2022-09-04T14:36:18.062037Z",
"structure_string": "Na5 Sn2\n1.0\n-2.707327 -4.689229 0.000000\n2.707327 -4.689229 0.000000\n-0.000000 -3.126152 7.487023\nNa Sn\n5 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.356082 0.356082 0.931755 Na\n0.643918 0.643918 0.068245 Na\n0.213652 0.213652 0.359044 Na\n0.786348 0.786348 0.640956 Na\n0.067688 0.067688 0.796936 Sn\n0.932312 0.932312 0.203063 Sn\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Na",
"Sn"
],
"chemical_system": "Na-Sn",
"density": 3.0779763780893807,
"density_atomic": 0.036822792481266346,
"volume": 190.09965101265095,
"volume_molar": 16.354383668929437,
"formula_full": "Na5 Sn2",
"formula_reduced": "Na5Sn2",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-95378",
"created_at": "2022-09-04T14:36:18.056244Z",
"updated_at": "2022-09-04T14:36:18.056269Z",
"structure_string": "Zr4 V12 Sb18\n1.0\n7.246285 0.000000 0.000000\n-0.000000 9.800931 0.000000\n-0.000000 0.000000 9.800931\nZr V Sb\n4 12 18\ndirect\n0.915909 0.250000 0.250000 Zr\n0.084091 0.750000 0.750000 Zr\n0.415130 0.250000 0.250000 Zr\n0.584869 0.750000 0.750000 Zr\n0.840787 0.614807 0.250000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.159213 0.114807 0.750000 V\n0.159213 0.385193 0.750000 V\n0.159213 0.750000 0.114807 V\n0.840787 0.250000 0.614807 V\n0.840787 0.250000 0.885193 V\n0.840787 0.885193 0.250000 V\n0.159213 0.750000 0.385193 V\n0.655927 0.422147 0.422147 Sb\n0.344072 0.922147 0.922147 Sb\n0.344072 0.577853 0.922147 Sb\n0.344072 0.922147 0.577853 Sb\n0.344072 0.577853 0.577853 Sb\n0.655927 0.422147 0.077853 Sb\n0.655927 0.077853 0.422147 Sb\n0.655927 0.077853 0.077853 Sb\n0.180284 0.496952 0.250000 Sb\n0.819716 0.503048 0.750000 Sb\n0.819716 0.996952 0.750000 Sb\n0.819716 0.750000 0.503048 Sb\n0.180284 0.250000 0.003048 Sb\n0.180284 0.250000 0.496952 Sb\n0.180284 0.003048 0.250000 Sb\n0.500000 0.250000 0.750000 Sb\n0.819716 0.750000 0.996952 Sb\n0.500000 0.750000 0.250000 Sb\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Zr",
"V",
"Sb"
],
"chemical_system": "Sb-V-Zr",
"density": 7.557304522040598,
"density_atomic": 0.04884598171719529,
"volume": 696.0654449909633,
"volume_molar": 12.328835552669466,
"formula_full": "Zr4 V12 Sb18",
"formula_reduced": "Zr2(V2Sb3)3",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 3.6169052411764713,
"spacegroup": 129
},
{
"id": "jvasp-91452",
"created_at": "2022-09-04T14:36:18.053627Z",
"updated_at": "2022-09-04T14:36:18.053656Z",
"structure_string": "Tl4 C4 O8\n1.0\n5.863330 0.000000 0.000000\n0.000000 6.588934 -1.044703\n0.000000 0.007130 6.623484\nTl C O\n4 4 8\ndirect\n0.440508 0.184329 0.825109 Tl\n0.059492 0.184329 0.325109 Tl\n0.940508 0.815670 0.674890 Tl\n0.559492 0.815670 0.174891 Tl\n0.594296 0.428909 0.444667 C\n0.094296 0.571090 0.055333 C\n0.405704 0.571090 0.555333 C\n0.905704 0.428909 0.944667 C\n0.757841 0.512534 0.363071 O\n0.926048 0.239701 0.944030 O\n0.242159 0.487465 0.636928 O\n0.257841 0.487465 0.136929 O\n0.426048 0.760298 0.555969 O\n0.073952 0.760298 0.055971 O\n0.742159 0.512534 0.863071 O\n0.573952 0.239701 0.444030 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"C",
"O"
],
"chemical_system": "C-O-Tl",
"density": 6.446559366122935,
"density_atomic": 0.06251725160134235,
"volume": 255.92935694019621,
"volume_molar": 9.632766325688403,
"formula_full": "Tl4 C4 O8",
"formula_reduced": "TlCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2684474000000003,
"spacegroup": 14
},
{
"id": "jvasp-70901",
"created_at": "2022-09-04T14:36:18.049599Z",
"updated_at": "2022-09-04T14:36:18.049623Z",
"structure_string": "Be1 Cd1 Ir2\n1.0\n2.900512 -0.000000 0.000000\n-0.000000 2.900512 -0.000000\n0.000000 0.000000 6.834214\nBe Cd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.448612 Be\n0.500000 0.500000 0.731316 Cd\n0.000000 0.000000 0.020707 Ir\n0.500000 0.500000 0.299363 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ir"
],
"chemical_system": "Be-Cd-Ir",
"density": 14.609626423479776,
"density_atomic": 0.06957001298727435,
"volume": 57.49603641344259,
"volume_molar": 8.65623061059592,
"formula_full": "Be1 Cd1 Ir2",
"formula_reduced": "BeCdIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2901220125,
"spacegroup": 99
},
{
"id": "jvasp-15004",
"created_at": "2022-09-04T14:36:18.049169Z",
"updated_at": "2022-09-04T14:36:18.049191Z",
"structure_string": "Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.4057661955995275,
"density_atomic": 0.10194495057432428,
"volume": 19.618431209517084,
"volume_molar": 5.907247711704446,
"formula_full": "Ti1 O1",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8109859166666666,
"spacegroup": 225
}
]
}