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=-nsites&page=3874",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3872",
"results": [
{
"id": "jvasp-118302",
"created_at": "2022-09-04T14:38:38.388964Z",
"updated_at": "2022-09-04T14:38:38.388989Z",
"structure_string": "Rb1 Mo1 F2\n1.0\n3.187367 0.000000 0.000000\n0.000000 3.187367 0.000000\n-0.000000 0.000000 6.869611\nRb Mo F\n1 1 2\ndirect\n0.500001 0.500001 0.544252 Rb\n0.000000 0.000000 0.025217 Mo\n0.000000 0.000000 0.331458 F\n0.500001 0.500001 0.109074 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"F"
],
"chemical_system": "F-Mo-Rb",
"density": 5.220337117733387,
"density_atomic": 0.05731439364804023,
"volume": 69.79049668680868,
"volume_molar": 10.507204868956888,
"formula_full": "Rb1 Mo1 F2",
"formula_reduced": "RbMoF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9098441162499998,
"spacegroup": 99
},
{
"id": "jvasp-110532",
"created_at": "2022-09-04T14:38:39.691084Z",
"updated_at": "2022-09-04T14:38:39.691115Z",
"structure_string": "Ti1 Co2 Sn1\n1.0\n3.114889 0.000000 0.000000\n0.000000 3.114889 0.000000\n0.000000 0.000000 5.891979\nTi Co Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.273325 Co\n0.500000 0.500000 0.726675 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Ti",
"density": 8.26225516012927,
"density_atomic": 0.0699702863005951,
"volume": 57.167123524632196,
"volume_molar": 8.60671161774106,
"formula_full": "Ti1 Co2 Sn1",
"formula_reduced": "TiCo2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.644212958333334,
"spacegroup": 123
},
{
"id": "jvasp-110470",
"created_at": "2022-09-04T14:38:39.204622Z",
"updated_at": "2022-09-04T14:38:39.204647Z",
"structure_string": "Sr1 Ca3\n1.0\n5.582366 -0.000000 -0.000000\n-0.000000 5.582366 -0.000000\n0.000000 -0.000000 5.582366\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.9840497737915002,
"density_atomic": 0.022993499315380268,
"volume": 173.96221189022825,
"volume_molar": 26.190623173097507,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-118664",
"created_at": "2022-09-04T14:38:46.127498Z",
"updated_at": "2022-09-04T14:38:46.127517Z",
"structure_string": "Na1 Al1 Te2\n1.0\n3.964044 -0.000000 -0.000000\n-0.000000 3.964044 -0.000000\n-0.000000 0.000000 7.724600\nNa Al Te\n1 1 2\ndirect\n0.499999 0.499999 0.439176 Na\n0.000000 -0.000000 0.934947 Al\n0.000000 -0.000000 0.597913 Te\n0.499999 0.499999 0.037964 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Al",
"Te"
],
"chemical_system": "Al-Na-Te",
"density": 4.174840268639277,
"density_atomic": 0.03295391815384751,
"volume": 121.38162088422202,
"volume_molar": 18.274430166043516,
"formula_full": "Na1 Al1 Te2",
"formula_reduced": "NaAlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5707118333333334,
"spacegroup": 99
},
{
"id": "jvasp-103262",
"created_at": "2022-09-04T14:38:39.795616Z",
"updated_at": "2022-09-04T14:38:39.795633Z",
"structure_string": "K1 Hg3\n1.0\n4.512017 -0.206912 -3.635374\n-1.160764 4.365058 -3.635374\n0.166760 0.206912 5.791928\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500002 Hg\n0.500001 0.500000 0.000002 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 8.888893489698868,
"density_atomic": 0.033411025519042264,
"volume": 119.72095851174164,
"volume_molar": 18.02441160199571,
"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.252576447368421,
"spacegroup": 139
},
{
"id": "jvasp-110332",
"created_at": "2022-09-04T14:38:38.333757Z",
"updated_at": "2022-09-04T14:38:38.333775Z",
"structure_string": "Nd1 Y1 O2\n1.0\n3.308612 0.001452 5.280640\n1.518754 2.939438 5.280640\n0.002383 0.001452 6.231537\nNd Y O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.500000 0.500002 Y\n0.234663 0.234663 0.234664 O\n0.765335 0.765336 0.765339 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Y",
"O"
],
"chemical_system": "Nd-O-Y",
"density": 7.272637145457045,
"density_atomic": 0.06607188075200221,
"volume": 60.54012621517189,
"volume_molar": 9.11452904239828,
"formula_full": "Nd1 Y1 O2",
"formula_reduced": "NdYO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5646459875,
"spacegroup": 166
},
{
"id": "jvasp-115423",
"created_at": "2022-09-04T14:38:44.432305Z",
"updated_at": "2022-09-04T14:38:44.432334Z",
"structure_string": "Li1 As1 O2\n1.0\n1.563828 0.902876 4.995231\n-1.563828 0.902876 4.995231\n-0.000000 -1.805753 4.995231\nLi As O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 As\n0.250206 0.250206 0.250206 O\n0.749793 0.749793 0.749794 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"As",
"O"
],
"chemical_system": "As-Li-O",
"density": 4.467880367782254,
"density_atomic": 0.09452265467638202,
"volume": 42.31789737280266,
"volume_molar": 6.371108366156296,
"formula_full": "Li1 As1 O2",
"formula_reduced": "LiAsO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6123046874999996,
"spacegroup": 166
},
{
"id": "jvasp-110466",
"created_at": "2022-09-04T14:38:38.304505Z",
"updated_at": "2022-09-04T14:38:38.304526Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n3.991473 -0.000000 2.304478\n1.330491 3.763196 2.304478\n0.000000 0.000000 4.608956\nSc Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.750001 Sc\n0.499999 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Sc",
"density": 7.177484501267101,
"density_atomic": 0.05777865061283079,
"volume": 69.22972339391616,
"volume_molar": 10.422778476350702,
"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1897498,
"spacegroup": 225
},
{
"id": "jvasp-115809",
"created_at": "2022-09-04T14:38:39.584178Z",
"updated_at": "2022-09-04T14:38:39.584189Z",
"structure_string": "Ca1 W1 O2\n1.0\n1.559988 0.900660 5.507676\n-1.559988 0.900660 5.507676\n-0.000000 -1.801319 5.507676\nCa W O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 W\n0.251060 0.251060 0.251060 O\n0.748940 0.748940 0.748940 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 9.152638035688678,
"density_atomic": 0.08615061550518745,
"volume": 46.430312500311096,
"volume_molar": 6.990246935191524,
"formula_full": "Ca1 W1 O2",
"formula_reduced": "CaWO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6700693549999994,
"spacegroup": 166
},
{
"id": "jvasp-110884",
"created_at": "2022-09-04T14:38:38.225607Z",
"updated_at": "2022-09-04T14:38:38.225616Z",
"structure_string": "Y2 Cu1 Au1\n1.0\n4.323744 -0.000000 2.496315\n1.441248 4.076465 2.496315\n-0.000000 -0.000000 4.992630\nY Cu Au\n2 1 1\ndirect\n0.750000 0.749999 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499999 0.499999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Y",
"density": 8.271257518300704,
"density_atomic": 0.04545555021926346,
"volume": 87.99805481850383,
"volume_molar": 13.248416818080658,
"formula_full": "Y2 Cu1 Au1",
"formula_reduced": "Y2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.29389973,
"spacegroup": 225
},
{
"id": "jvasp-41067",
"created_at": "2022-09-04T14:38:37.111533Z",
"updated_at": "2022-09-04T14:38:37.111553Z",
"structure_string": "Hf1 In1 Co2\n1.0\n-0.000004 3.111842 3.111801\n3.111844 0.000000 3.111797\n3.111833 3.111825 0.000013\nHf In Co\n1 1 2\ndirect\n0.250000 0.249999 0.250001 Hf\n0.750000 0.749999 0.750000 In\n0.499999 0.500000 0.499999 Co\n0.000002 -0.000002 1.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Co"
],
"chemical_system": "Co-Hf-In",
"density": 11.329241858453173,
"density_atomic": 0.06637211933288603,
"volume": 60.26626903290824,
"volume_molar": 9.073298879905062,
"formula_full": "Hf1 In1 Co2",
"formula_reduced": "HfInCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8117611925,
"spacegroup": 225
},
{
"id": "jvasp-110456",
"created_at": "2022-09-04T14:38:39.190342Z",
"updated_at": "2022-09-04T14:38:39.190364Z",
"structure_string": "Pm2 Ga1 Hg1\n1.0\n4.571927 0.000000 2.639603\n1.523975 4.310453 2.639603\n-0.000000 -0.000000 5.279206\nPm Ga Hg\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Pm\n0.750002 0.749999 0.749999 Pm\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Pm",
"density": 8.94311851063008,
"density_atomic": 0.038447595199816983,
"volume": 104.03771625277204,
"volume_molar": 15.663244290578325,
"formula_full": "Pm2 Ga1 Hg1",
"formula_reduced": "Pm2GaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.14477481875,
"spacegroup": 225
}
]
}