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=energy_above_hull&page=872",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=870",
"results": [
{
"id": "jvasp-51315",
"created_at": "2022-09-04T14:36:57.033506Z",
"updated_at": "2022-09-04T14:36:57.033523Z",
"structure_string": "Ba2 Be1 Ga1\n1.0\n0.000000 3.886404 3.886404\n3.886404 -0.000000 3.886404\n3.886404 3.886404 -0.000000\nBa Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Be\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Ga"
],
"chemical_system": "Ba-Be-Ga",
"density": 4.998371356801971,
"density_atomic": 0.034071100559966636,
"volume": 117.40154953198015,
"volume_molar": 17.675216418092415,
"formula_full": "Ba2 Be1 Ga1",
"formula_reduced": "Ba2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.30456759125,
"spacegroup": 216
},
{
"id": "jvasp-39493",
"created_at": "2022-09-04T14:37:55.932389Z",
"updated_at": "2022-09-04T14:37:55.932399Z",
"structure_string": "Nd1 Er1 Mg2\n1.0\n0.000000 3.799370 3.799370\n3.799370 0.000000 3.799370\n3.799370 3.799370 0.000000\nNd Er Mg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Er",
"Mg"
],
"chemical_system": "Er-Mg-Nd",
"density": 5.451559064923538,
"density_atomic": 0.036466596201469983,
"volume": 109.68942584881992,
"volume_molar": 16.514129058629404,
"formula_full": "Nd1 Er1 Mg2",
"formula_reduced": "NdErMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3046674,
"spacegroup": 225
},
{
"id": "jvasp-92529",
"created_at": "2022-09-04T14:35:47.078002Z",
"updated_at": "2022-09-04T14:35:47.078028Z",
"structure_string": "Sr2 Cd1 Pt2\n1.0\n-4.572986 -0.000000 0.000000\n-2.286493 -3.025934 4.546073\n-2.286493 3.025934 4.546073\nSr Cd Pt\n2 1 2\ndirect\n0.201779 0.298221 0.298221 Sr\n0.798221 0.701778 0.701778 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.276067 0.723933 Pt\n0.500000 0.723933 0.276067 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sr",
"density": 8.946169285778637,
"density_atomic": 0.039741502318735314,
"volume": 125.81305960451456,
"volume_molar": 15.15327908769313,
"formula_full": "Sr2 Cd1 Pt2",
"formula_reduced": "Sr2CdPt2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3046890340000001,
"spacegroup": 71
},
{
"id": "jvasp-92434",
"created_at": "2022-09-04T14:36:07.411755Z",
"updated_at": "2022-09-04T14:36:07.411788Z",
"structure_string": "K1 Cr1 F3\n1.0\n4.151512 0.000000 0.000000\n0.000000 4.151750 0.000000\n0.000000 0.000000 4.151750\nK Cr F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 3.436410199767776,
"density_atomic": 0.06987170131365131,
"volume": 71.55972884580551,
"volume_molar": 8.618855197137462,
"formula_full": "K1 Cr1 F3",
"formula_reduced": "KCrF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3046977098333333,
"spacegroup": 221
},
{
"id": "jvasp-34439",
"created_at": "2022-09-04T14:38:15.270016Z",
"updated_at": "2022-09-04T14:38:15.270030Z",
"structure_string": "K1 Cr1 F3\n1.0\n4.151717 0.000000 0.000000\n0.000000 4.151717 -0.000000\n0.000000 -0.000000 4.151577\nK Cr F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 3.43641102502349,
"density_atomic": 0.06987171809337707,
"volume": 71.55971166070317,
"volume_molar": 8.618853127315358,
"formula_full": "K1 Cr1 F3",
"formula_reduced": "KCrF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3046977098333333,
"spacegroup": 221
},
{
"id": "jvasp-99812",
"created_at": "2022-09-04T14:36:31.809833Z",
"updated_at": "2022-09-04T14:36:31.809863Z",
"structure_string": "Lu2 Tl1 In1\n1.0\n4.529695 -0.000000 2.615220\n1.509899 4.270637 2.615220\n-0.000000 0.000000 5.230440\nLu Tl In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.749999 0.750001 0.750000 Lu\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"In"
],
"chemical_system": "In-Lu-Tl",
"density": 10.981538680407764,
"density_atomic": 0.03953303418166947,
"volume": 101.18120409423835,
"volume_molar": 15.233186333044792,
"formula_full": "Lu2 Tl1 In1",
"formula_reduced": "Lu2TlIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3048110175,
"spacegroup": 225
},
{
"id": "jvasp-120151",
"created_at": "2022-09-04T14:38:39.362930Z",
"updated_at": "2022-09-04T14:38:39.362951Z",
"structure_string": "Na1 Hf1 F4\n1.0\n4.017452 -0.000000 -0.000000\n-0.000000 4.017452 -0.000000\n0.000000 0.000000 6.475472\nNa Hf F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.500000 Hf\n0.499999 0.000000 0.500000 F\n0.000000 0.499999 0.500000 F\n0.499999 0.499999 0.195467 F\n0.499999 0.499999 0.804532 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Hf",
"F"
],
"chemical_system": "F-Hf-Na",
"density": 4.408568591660475,
"density_atomic": 0.05740879449967842,
"volume": 104.5136037481785,
"volume_molar": 10.489927218439908,
"formula_full": "Na1 Hf1 F4",
"formula_reduced": "NaHfF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3048204118055559,
"spacegroup": 123
},
{
"id": "jvasp-43740",
"created_at": "2022-09-04T14:35:49.780807Z",
"updated_at": "2022-09-04T14:35:49.780831Z",
"structure_string": "Li2 Fe2 F6\n1.0\n0.000000 3.955442 0.043996\n5.423446 0.000000 0.000000\n0.000000 -1.904111 -5.279752\nLi Fe F\n2 2 6\ndirect\n0.807437 0.250000 0.428075 Li\n0.192562 0.750001 0.571923 Li\n0.993569 0.750001 0.004965 Fe\n0.006430 0.250000 -0.004965 Fe\n0.464732 0.750001 0.939136 F\n0.133997 0.996093 0.308808 F\n0.133997 0.503909 0.308808 F\n0.866003 0.496092 0.691191 F\n0.866003 0.003908 0.691191 F\n0.535267 0.250000 0.060863 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5263836513767806,
"density_atomic": 0.08864653646682066,
"volume": 112.80756585163235,
"volume_molar": 6.793430403514993,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3049612695,
"spacegroup": 11
},
{
"id": "jvasp-106200",
"created_at": "2022-09-04T14:38:40.325978Z",
"updated_at": "2022-09-04T14:38:40.325988Z",
"structure_string": "K2 Rb1 Gd1 Cl6\n1.0\n6.950341 0.000000 4.012781\n2.316780 6.552845 4.012781\n0.000000 0.000000 8.025563\nK Rb Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.766964 0.233036 0.233036 Cl\n0.233036 0.233036 0.766964 Cl\n0.233036 0.766965 0.766964 Cl\n0.233036 0.766965 0.233035 Cl\n0.766964 0.233036 0.766964 Cl\n0.766964 0.766965 0.233035 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K-Rb",
"density": 2.4242632142220977,
"density_atomic": 0.02735826070602291,
"volume": 365.52031240050667,
"volume_molar": 22.012147719150246,
"formula_full": "K2 Rb1 Gd1 Cl6",
"formula_reduced": "K2RbGdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3049673905000007,
"spacegroup": 225
},
{
"id": "jvasp-43375",
"created_at": "2022-09-04T14:37:29.167209Z",
"updated_at": "2022-09-04T14:37:29.167230Z",
"structure_string": "Li4 Fe4 F12\n1.0\n2.882828 0.000000 0.000000\n-0.000000 5.102972 0.000000\n0.000000 0.000000 15.776995\nLi Fe F\n4 4 12\ndirect\n0.750001 0.024985 0.303242 Li\n0.250000 0.475015 0.803242 Li\n0.750001 0.524985 0.196758 Li\n0.250000 0.975015 0.696757 Li\n0.750001 0.968054 0.088564 Fe\n0.250000 0.531945 0.588564 Fe\n0.750001 0.468054 0.411436 Fe\n0.250000 0.031946 0.911436 Fe\n0.250000 0.201775 0.359843 F\n0.750001 0.298225 0.859843 F\n0.750001 0.292546 0.529224 F\n0.250000 0.330928 0.695771 F\n0.750001 0.669072 0.304228 F\n0.750001 0.792546 0.970775 F\n0.250000 0.701775 0.140156 F\n0.750001 0.798225 0.640156 F\n0.250000 0.207454 0.029225 F\n0.250000 0.830927 0.804228 F\n0.250000 0.707454 0.470775 F\n0.750001 0.169072 0.195771 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.4279271077647637,
"density_atomic": 0.08617152737917014,
"volume": 232.09522458614921,
"volume_molar": 6.988550560908017,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3050852695,
"spacegroup": 62
},
{
"id": "jvasp-11307",
"created_at": "2022-09-04T14:37:11.329525Z",
"updated_at": "2022-09-04T14:37:11.329548Z",
"structure_string": "Mg2 Mo2 F10\n1.0\n5.026263 0.091902 -1.927761\n-2.015747 4.942476 -0.704778\n-0.112508 -0.038466 7.649214\nMg Mo F\n2 2 10\ndirect\n0.271838 0.521839 0.749999 Mg\n0.728160 0.478161 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n0.499999 -0.000001 0.500000 Mo\n0.391194 0.141195 0.250000 F\n0.608804 0.858805 0.749999 F\n0.563670 0.696756 0.355077 F\n0.841677 0.208593 0.144922 F\n0.759181 0.668488 0.049348 F\n0.119139 0.709834 0.450651 F\n0.240818 0.331512 0.950651 F\n0.880859 0.290166 0.549348 F\n0.158321 0.791407 0.855076 F\n0.436329 0.303243 0.644922 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"F"
],
"chemical_system": "F-Mg-Mo",
"density": 3.7604278047953037,
"density_atomic": 0.07364940376373146,
"volume": 190.08979414025183,
"volume_molar": 8.176767838228711,
"formula_full": "Mg2 Mo2 F10",
"formula_reduced": "MgMoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.3051166232142855,
"spacegroup": 15
},
{
"id": "jvasp-60667",
"created_at": "2022-09-04T14:36:59.953735Z",
"updated_at": "2022-09-04T14:36:59.953757Z",
"structure_string": "Cu4 Te8 Cl4\n1.0\n0.000000 8.245219 0.000117\n5.040777 0.000000 0.000000\n0.000000 -5.582873 -10.779231\nCu Te Cl\n4 8 4\ndirect\n0.827718 0.856894 0.252139 Cu\n0.172283 0.356894 0.247861 Cu\n0.172283 0.143107 0.747861 Cu\n0.827718 0.643107 0.752139 Cu\n0.581658 0.209173 0.139269 Te\n0.418342 0.709174 0.360730 Te\n0.418342 0.790827 0.860730 Te\n0.581658 0.290827 0.639269 Te\n0.264833 0.009767 0.133377 Te\n0.735167 0.509768 0.366623 Te\n0.735167 0.990233 0.866623 Te\n0.264833 0.490233 0.633377 Te\n0.089775 0.104905 0.378764 Cl\n0.910225 0.604905 0.121236 Cl\n0.910225 0.895096 0.621236 Cl\n0.089775 0.395096 0.878764 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Te",
"Cl"
],
"chemical_system": "Cl-Cu-Te",
"density": 5.251364355174458,
"density_atomic": 0.03571377145597358,
"volume": 448.00645094915615,
"volume_molar": 16.86223693127409,
"formula_full": "Cu4 Te8 Cl4",
"formula_reduced": "CuTe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3051950127083334,
"spacegroup": 14
}
]
}