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=volume&page=1562",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1560",
"results": [
{
"id": "jvasp-37470",
"created_at": "2022-09-04T14:37:42.538207Z",
"updated_at": "2022-09-04T14:37:42.538228Z",
"structure_string": "Yb3 Tc1\n1.0\n-2.451598 2.451598 3.799169\n2.451598 -2.451598 3.799169\n2.451598 2.451598 -3.799169\nYb Tc\n3 1\ndirect\n0.750003 0.250001 0.500001 Yb\n0.250001 0.750003 0.500001 Yb\n0.499999 0.499999 0.000000 Yb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Tc"
],
"chemical_system": "Tc-Yb",
"density": 11.219450789232809,
"density_atomic": 0.04379382416774833,
"volume": 91.33707950870783,
"volume_molar": 13.751118735218755,
"formula_full": "Yb3 Tc1",
"formula_reduced": "Yb3Tc",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8474609,
"spacegroup": 139
},
{
"id": "jvasp-107459",
"created_at": "2022-09-04T14:36:53.828949Z",
"updated_at": "2022-09-04T14:36:53.828976Z",
"structure_string": "Li1 Lu1 In2\n1.0\n4.377775 0.000000 2.527510\n1.459258 4.127406 2.527510\n-0.000000 -0.000000 5.055020\nLi Lu In\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.750001 0.750001 0.749999 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"In"
],
"chemical_system": "In-Li-Lu",
"density": 7.4818994205558385,
"density_atomic": 0.04379318029500656,
"volume": 91.33842239943677,
"volume_molar": 13.75132091214363,
"formula_full": "Li1 Lu1 In2",
"formula_reduced": "LiLuIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1633014225,
"spacegroup": 225
},
{
"id": "jvasp-7859",
"created_at": "2022-09-04T14:36:39.484154Z",
"updated_at": "2022-09-04T14:36:39.484175Z",
"structure_string": "Pr2 Ni1 O4\n1.0\n3.606305 0.021089 -1.056496\n-0.330531 3.591186 -1.056496\n0.089461 0.098651 6.991236\nPr Ni O\n2 1 4\ndirect\n0.636707 0.636710 0.273385 Pr\n0.363291 0.363292 0.726616 Pr\n0.000000 0.000000 0.000000 Ni\n0.819201 0.819204 0.638358 O\n0.180798 0.180798 0.361643 O\n0.000000 0.500001 -0.000000 O\n0.499999 0.000000 -0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"O"
],
"chemical_system": "Ni-O-Pr",
"density": 7.35387820270323,
"density_atomic": 0.07663728050395086,
"volume": 91.33935799873707,
"volume_molar": 7.857978154234665,
"formula_full": "Pr2 Ni1 O4",
"formula_reduced": "Pr2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.900588014285714,
"spacegroup": 139
},
{
"id": "jvasp-37249",
"created_at": "2022-09-04T14:38:02.571724Z",
"updated_at": "2022-09-04T14:38:02.571746Z",
"structure_string": "Sm1 Ho1 Zn2\n1.0\n0.000000 3.574451 3.574451\n3.574451 -0.000000 3.574451\n3.574451 3.574451 -0.000000\nSm Ho Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ho",
"Zn"
],
"chemical_system": "Ho-Sm-Zn",
"density": 8.11019657749365,
"density_atomic": 0.0437927231644685,
"volume": 91.3393758359705,
"volume_molar": 13.751464455368925,
"formula_full": "Sm1 Ho1 Zn2",
"formula_reduced": "SmHoZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40320",
"created_at": "2022-09-04T14:37:44.188881Z",
"updated_at": "2022-09-04T14:37:44.188897Z",
"structure_string": "Sm1 Ag1 Hg2\n1.0\n0.000000 3.574508 3.574508\n3.574508 0.000000 3.574508\n3.574508 3.574508 0.000000\nSm Ag Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sm",
"density": 11.987389727657249,
"density_atomic": 0.043790628208673923,
"volume": 91.3437455370346,
"volume_molar": 13.752122329241102,
"formula_full": "Sm1 Ag1 Hg2",
"formula_reduced": "SmAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18062",
"created_at": "2022-09-04T14:37:31.188869Z",
"updated_at": "2022-09-04T14:37:31.188896Z",
"structure_string": "Nd2 Cu1 O4\n1.0\n3.613413 -0.000000 -1.014934\n-0.285074 3.602150 -1.014934\n0.018807 0.020354 7.006741\nNd Cu O\n2 1 4\ndirect\n0.637673 0.637672 0.275345 Nd\n0.362328 0.362327 0.724656 Nd\n0.000000 0.000000 0.000000 Cu\n0.815894 0.815893 0.631787 O\n0.184107 0.184106 0.368214 O\n0.000001 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"O"
],
"chemical_system": "Cu-Nd-O",
"density": 7.5625007904732655,
"density_atomic": 0.07662883662407456,
"volume": 91.34942285944614,
"volume_molar": 7.858844040062091,
"formula_full": "Nd2 Cu1 O4",
"formula_reduced": "Nd2CuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6479939214285713,
"spacegroup": 139
},
{
"id": "jvasp-105731",
"created_at": "2022-09-04T14:36:21.722115Z",
"updated_at": "2022-09-04T14:36:21.722147Z",
"structure_string": "Cd4\n1.0\n3.316364 0.000000 0.000000\n-1.658182 2.872056 0.000000\n0.000000 -0.000000 9.590936\nCd\n4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666668 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.173382269405872,
"density_atomic": 0.04378687008269672,
"volume": 91.351585359847,
"volume_molar": 13.753302642153846,
"formula_full": "Cd4",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.02374,
"spacegroup": 194
},
{
"id": "jvasp-35299",
"created_at": "2022-09-04T14:36:58.866062Z",
"updated_at": "2022-09-04T14:36:58.866075Z",
"structure_string": "Mn2 Co2 Sn2\n1.0\n2.224715 -3.853318 0.000000\n2.224715 3.853318 0.000000\n0.000000 0.000000 5.328176\nMn Co Sn\n2 2 2\ndirect\n0.333332 0.666666 0.750001 Mn\n0.666666 0.333332 0.250000 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333332 0.666666 0.250000 Sn\n0.666666 0.333332 0.750001 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Sn"
],
"chemical_system": "Co-Mn-Sn",
"density": 8.455435536599593,
"density_atomic": 0.06568004754739337,
"volume": 91.35194361225948,
"volume_molar": 9.16890438554349,
"formula_full": "Mn2 Co2 Sn2",
"formula_reduced": "MnCoSn",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4544266137931032,
"spacegroup": 194
},
{
"id": "jvasp-116312",
"created_at": "2022-09-04T14:38:30.690893Z",
"updated_at": "2022-09-04T14:38:30.690921Z",
"structure_string": "Li1 Se3\n1.0\n4.374430 0.443122 -0.461998\n-1.452789 -3.749318 0.311620\n0.295267 -0.591882 -5.801613\nLi Se\n1 3\ndirect\n0.274032 0.640678 0.653675 Li\n-0.039035 -0.029243 0.453471 Se\n0.270063 0.477142 0.155133 Se\n0.583190 0.282213 0.859260 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 4.431780602217732,
"density_atomic": 0.04378426241089296,
"volume": 91.35702601226991,
"volume_molar": 13.754121751521772,
"formula_full": "Li1 Se3",
"formula_reduced": "LiSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.111767525,
"spacegroup": 5
},
{
"id": "jvasp-113501",
"created_at": "2022-09-04T14:38:49.581808Z",
"updated_at": "2022-09-04T14:38:49.581829Z",
"structure_string": "S2 Cl2\n1.0\n3.568436 0.000000 0.000000\n0.000000 3.568436 0.000000\n0.000000 0.000000 7.174891\nS Cl\n2 2\ndirect\n0.000000 0.000000 0.250047 S\n0.500001 0.500001 0.749953 S\n0.000000 0.000000 0.750199 Cl\n0.500001 0.500001 0.249801 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"S",
"Cl"
],
"chemical_system": "Cl-S",
"density": 2.454299339552932,
"density_atomic": 0.043781320818360996,
"volume": 91.36316413557083,
"volume_molar": 13.75504586758478,
"formula_full": "S2 Cl2",
"formula_reduced": "SCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.95864703375,
"spacegroup": 139
},
{
"id": "jvasp-115589",
"created_at": "2022-09-04T14:38:45.368634Z",
"updated_at": "2022-09-04T14:38:45.368643Z",
"structure_string": "Ba1 Zr1 O1\n1.0\n3.420286 -0.000000 -0.000000\n0.000000 3.420286 0.000000\n-0.000000 -0.000000 7.810197\nBa Zr O\n1 1 1\ndirect\n0.000000 0.000000 0.301440 Ba\n0.000000 0.000000 0.759557 Zr\n0.000000 0.000000 -0.006195 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 4.444579114076549,
"density_atomic": 0.03283480344318569,
"volume": 91.36646744942215,
"volume_molar": 18.340724257479277,
"formula_full": "Ba1 Zr1 O1",
"formula_reduced": "BaZrO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6102713233333332,
"spacegroup": 99
},
{
"id": "jvasp-103490",
"created_at": "2022-09-04T14:36:33.691561Z",
"updated_at": "2022-09-04T14:36:33.691585Z",
"structure_string": "Cu1 Bi1 Se2\n1.0\n3.881729 0.004258 5.601768\n1.754314 3.462691 5.601768\n0.006923 0.004258 6.815246\nCu Bi Se\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Bi\n0.237553 0.237554 0.237554 Se\n0.762445 0.762447 0.762448 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"Se"
],
"chemical_system": "Bi-Cu-Se",
"density": 7.8228845737117485,
"density_atomic": 0.043778284189069885,
"volume": 91.36950143419918,
"volume_molar": 13.755999970194232,
"formula_full": "Cu1 Bi1 Se2",
"formula_reduced": "CuBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7619628708333334,
"spacegroup": 166
}
]
}