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=3512",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3510",
"results": [
{
"id": "jvasp-71047",
"created_at": "2022-09-04T14:35:43.637795Z",
"updated_at": "2022-09-04T14:35:43.637824Z",
"structure_string": "Be2 Tl1 Sb1\n1.0\n4.559092 0.000000 0.000000\n0.000000 4.559092 -0.000000\n-0.000000 0.000000 3.715565\nBe Tl Sb\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 -0.000000 0.499999 Tl\n0.500000 0.500000 0.499999 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Sb"
],
"chemical_system": "Be-Sb-Tl",
"density": 7.400099958505713,
"density_atomic": 0.05179387637484977,
"volume": 77.22920700220716,
"volume_molar": 11.62712888376173,
"formula_full": "Be2 Tl1 Sb1",
"formula_reduced": "Be2TlSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3638577250000004,
"spacegroup": 123
},
{
"id": "jvasp-91982",
"created_at": "2022-09-04T14:35:43.645922Z",
"updated_at": "2022-09-04T14:35:43.645957Z",
"structure_string": "Na2 Cu2 O4\n1.0\n0.760732 -2.674123 0.000000\n5.265963 2.943325 0.000000\n-0.000000 -0.000000 5.940427\nNa Cu O\n2 2 4\ndirect\n0.632223 0.264449 0.455925 Na\n0.367777 0.735550 0.955925 Na\n0.127923 0.255846 0.962299 Cu\n0.872077 0.744153 0.462299 Cu\n0.549908 0.099817 0.099054 O\n0.709862 0.419725 0.829535 O\n0.290138 0.580274 0.329535 O\n0.450091 0.900182 0.599054 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 4.060335980999415,
"density_atomic": 0.08251403777799672,
"volume": 96.9531999091346,
"volume_molar": 7.298322712315347,
"formula_full": "Na2 Cu2 O4",
"formula_reduced": "NaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.649158375,
"spacegroup": 36
},
{
"id": "jvasp-16220",
"created_at": "2022-09-04T14:35:43.663844Z",
"updated_at": "2022-09-04T14:35:43.663875Z",
"structure_string": "Ti4 Cd2 C2\n1.0\n1.551967 -2.688085 0.000000\n1.551967 2.688085 0.000000\n0.000000 -0.000000 14.418047\nTi Cd C\n4 2 2\ndirect\n0.666668 0.333334 0.578399 Ti\n0.333334 0.666668 0.421601 Ti\n0.333334 0.666668 0.078399 Ti\n0.666668 0.333334 0.921601 Ti\n0.666668 0.333334 0.250000 Cd\n0.333334 0.666668 0.750000 Cd\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"C"
],
"chemical_system": "C-Cd-Ti",
"density": 6.077809936333562,
"density_atomic": 0.06650098446104466,
"volume": 120.29897098269707,
"volume_molar": 9.055716706761965,
"formula_full": "Ti4 Cd2 C2",
"formula_reduced": "Ti2CdC",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7979091041666675,
"spacegroup": 194
},
{
"id": "jvasp-67349",
"created_at": "2022-09-04T14:35:43.664517Z",
"updated_at": "2022-09-04T14:35:43.664555Z",
"structure_string": "Be2 Nb1 Bi1\n1.0\n3.236411 0.000000 0.000000\n0.000000 3.236411 -0.000000\n0.000000 -0.000000 6.370167\nBe Nb Bi\n2 1 1\ndirect\n0.000000 0.000000 0.035249 Be\n0.500000 0.500000 0.180092 Be\n0.500000 0.500000 0.808141 Nb\n0.000000 0.000000 0.476518 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Bi"
],
"chemical_system": "Be-Bi-Nb",
"density": 7.9615992091843815,
"density_atomic": 0.059948985245705716,
"volume": 66.72339796254565,
"volume_molar": 10.045442362898678,
"formula_full": "Be2 Nb1 Bi1",
"formula_reduced": "Be2NbBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.649806475,
"spacegroup": 99
},
{
"id": "jvasp-74976",
"created_at": "2022-09-04T14:35:43.665559Z",
"updated_at": "2022-09-04T14:35:43.665586Z",
"structure_string": "Be2 Ga1 Mo1\n1.0\n-1.703578 1.703578 4.120954\n1.703578 -1.703578 4.120954\n1.703578 1.703578 -4.120954\nBe Ga Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Mo"
],
"chemical_system": "Be-Ga-Mo",
"density": 6.3759745565454455,
"density_atomic": 0.08361384351939297,
"volume": 47.83896818560028,
"volume_molar": 7.202325005671168,
"formula_full": "Be2 Ga1 Mo1",
"formula_reduced": "Be2GaMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.29766510625,
"spacegroup": 119
},
{
"id": "jvasp-69635",
"created_at": "2022-09-04T14:35:43.685546Z",
"updated_at": "2022-09-04T14:35:43.685563Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n3.542283 0.000000 0.000000\n-0.000000 3.542283 0.000000\n-0.000000 -0.000000 3.770346\nMn Be Nb\n1 2 1\ndirect\n0.500000 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Nb"
],
"chemical_system": "Be-Mn-Nb",
"density": 5.821917606693241,
"density_atomic": 0.08454973969272819,
"volume": 47.309430100398345,
"volume_molar": 7.122601183499494,
"formula_full": "Mn1 Be2 Nb1",
"formula_reduced": "MnBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.359557210344827,
"spacegroup": 123
},
{
"id": "jvasp-22698",
"created_at": "2022-09-04T14:35:43.701774Z",
"updated_at": "2022-09-04T14:35:43.701790Z",
"structure_string": "Li2 Ag2 F4\n1.0\n1.488898 2.578761 -0.000059\n-1.488701 2.578624 0.000083\n-0.000426 -0.000191 11.583428\nLi Ag F\n2 2 4\ndirect\n-0.000005 0.000032 0.000000 Li\n0.000003 0.000022 0.500000 Li\n0.666630 0.666708 0.250000 Ag\n0.333373 0.333348 0.750000 Ag\n0.333323 0.333351 0.094517 F\n0.666677 0.666664 0.594516 F\n0.666657 0.666692 0.905483 F\n0.333339 0.333382 0.405483 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.7058013779708565,
"density_atomic": 0.08994709008668114,
"volume": 88.94117633255814,
"volume_molar": 6.695203540433072,
"formula_full": "Li2 Ag2 F4",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0087175,
"spacegroup": 194
},
{
"id": "jvasp-71087",
"created_at": "2022-09-04T14:35:43.706070Z",
"updated_at": "2022-09-04T14:35:43.706096Z",
"structure_string": "Sr1 Be2 Tc1\n1.0\n3.186639 -3.508202 0.000000\n3.186639 3.508202 0.000000\n0.000000 0.000000 2.746412\nSr Be Tc\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Tc"
],
"chemical_system": "Be-Sr-Tc",
"density": 5.506914708955116,
"density_atomic": 0.06513986420385827,
"volume": 61.406330039034344,
"volume_molar": 9.244939076252027,
"formula_full": "Sr1 Be2 Tc1",
"formula_reduced": "SrBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3257150025,
"spacegroup": 65
},
{
"id": "jvasp-71277",
"created_at": "2022-09-04T14:35:43.715039Z",
"updated_at": "2022-09-04T14:35:43.715068Z",
"structure_string": "Na2 Ca1 Be1\n1.0\n3.570895 -0.000000 -0.000000\n0.000000 3.570895 0.000000\n0.000000 -0.000000 8.964979\nNa Ca Be\n2 1 1\ndirect\n0.000000 0.000000 0.001701 Na\n0.499999 0.499999 0.310385 Na\n0.499999 0.499999 0.681333 Ca\n0.000000 0.000000 0.506582 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-Na",
"density": 1.3809815544993842,
"density_atomic": 0.03499101611762598,
"volume": 114.31505694357601,
"volume_molar": 17.21053409754075,
"formula_full": "Na2 Ca1 Be1",
"formula_reduced": "Na2CaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.07341945625,
"spacegroup": 99
},
{
"id": "jvasp-65744",
"created_at": "2022-09-04T14:35:43.733129Z",
"updated_at": "2022-09-04T14:35:43.733149Z",
"structure_string": "Ba1 Ta2 Se1\n1.0\n-2.103633 2.103633 5.858282\n2.103633 -2.103633 5.858282\n2.103633 2.103633 -5.858282\nBa Ta Se\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.749999 0.250000 0.499999 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Se"
],
"chemical_system": "Ba-Se-Ta",
"density": 9.258572261650933,
"density_atomic": 0.038573564812317614,
"volume": 103.69796049346957,
"volume_molar": 15.61209286541482,
"formula_full": "Ba1 Ta2 Se1",
"formula_reduced": "BaTa2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.821654434166666,
"spacegroup": 139
},
{
"id": "jvasp-70884",
"created_at": "2022-09-04T14:35:43.756463Z",
"updated_at": "2022-09-04T14:35:43.756491Z",
"structure_string": "Ca1 Be2 Cd1\n1.0\n4.383697 0.000000 0.000000\n0.000000 4.383697 0.000000\n0.000000 -0.000000 3.876678\nCa Be Cd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Cd"
],
"chemical_system": "Be-Ca-Cd",
"density": 3.8007275066706554,
"density_atomic": 0.05369318980413596,
"volume": 74.49734341713261,
"volume_molar": 11.215837207600801,
"formula_full": "Ca1 Be2 Cd1",
"formula_reduced": "CaBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7417860900000001,
"spacegroup": 123
},
{
"id": "jvasp-74700",
"created_at": "2022-09-04T14:35:43.761176Z",
"updated_at": "2022-09-04T14:35:43.761202Z",
"structure_string": "Na1 Be2 P1\n1.0\n-1.858641 1.858641 3.871655\n1.858641 -1.858641 3.871655\n1.858641 1.858641 -3.871655\nNa Be P\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"P"
],
"chemical_system": "Be-Na-P",
"density": 2.234399911383941,
"density_atomic": 0.07476740767485142,
"volume": 53.49924685626663,
"volume_molar": 8.054499878060629,
"formula_full": "Na1 Be2 P1",
"formula_reduced": "NaBe2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6161816750000002,
"spacegroup": 119
}
]
}