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=-nelements&page=880",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=878",
"results": [
{
"id": "jvasp-114812",
"created_at": "2022-09-04T14:38:43.327054Z",
"updated_at": "2022-09-04T14:38:43.327072Z",
"structure_string": "Rb3 S1 Cl1\n1.0\n6.200016 0.000000 0.000000\n0.000000 6.200016 0.000000\n-0.000000 -0.000000 6.200016\nRb S Cl\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"S",
"Cl"
],
"chemical_system": "Cl-Rb-S",
"density": 2.2568895596193252,
"density_atomic": 0.020979328029112704,
"volume": 238.32984512476156,
"volume_molar": 28.705117493006277,
"formula_full": "Rb3 S1 Cl1",
"formula_reduced": "Rb3SCl",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-110394",
"created_at": "2022-09-04T14:38:38.524600Z",
"updated_at": "2022-09-04T14:38:38.524624Z",
"structure_string": "Zn2 O4 F4\n1.0\n3.064768 -0.127114 -0.863367\n-1.196180 6.433440 -4.362855\n-0.549210 -3.052721 9.479222\nZn O F\n2 4 4\ndirect\n0.500016 0.250002 0.250001 Zn\n0.499985 0.749999 0.749999 Zn\n0.458901 0.843724 0.272507 O\n0.541124 0.656278 0.227495 O\n0.541100 0.156277 0.727494 O\n0.458877 0.343724 0.772506 O\n0.161094 0.296949 0.419941 F\n0.838909 0.203052 0.080058 F\n0.838907 0.703052 0.580059 F\n0.161092 0.796950 0.919942 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"O",
"F"
],
"chemical_system": "F-O-Zn",
"density": 3.2554486128701123,
"density_atomic": 0.07239328968067349,
"volume": 138.13434980106527,
"volume_molar": 8.318644982930929,
"formula_full": "Zn2 O4 F4",
"formula_reduced": "Zn(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3526395929999996,
"spacegroup": 12
},
{
"id": "jvasp-110735",
"created_at": "2022-09-04T14:38:39.158228Z",
"updated_at": "2022-09-04T14:38:39.158243Z",
"structure_string": "Dy2 Cl2 O2\n1.0\n3.694668 -0.017331 8.800464\n1.758381 3.249457 8.800464\n-0.029239 -0.017331 9.544521\nDy Cl O\n2 2 2\ndirect\n0.218102 0.218102 0.218101 Dy\n0.781898 0.781899 0.781897 Dy\n0.386369 0.386370 0.386369 Cl\n0.613630 0.613631 0.613629 Cl\n0.136237 0.136237 0.136237 O\n0.863762 0.863764 0.863761 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cl",
"O"
],
"chemical_system": "Cl-Dy-O",
"density": 6.12465609984197,
"density_atomic": 0.0517174023090002,
"volume": 116.01510772237376,
"volume_molar": 11.64432181651163,
"formula_full": "Dy2 Cl2 O2",
"formula_reduced": "DyClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0546746891666669,
"spacegroup": 166
},
{
"id": "jvasp-20989",
"created_at": "2022-09-04T14:38:39.945347Z",
"updated_at": "2022-09-04T14:38:39.945376Z",
"structure_string": "Ca6 Sn26 Rh8\n1.0\n9.825171 -0.000000 0.000000\n-0.000000 9.825171 0.000000\n0.000000 0.000000 9.825171\nCa Sn Rh\n6 26 8\ndirect\n0.250000 0.500000 0.000000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.750000 0.500000 Ca\n0.000000 0.250000 0.500000 Ca\n0.305658 0.846516 0.000000 Sn\n0.000000 0.694342 0.846516 Sn\n0.000000 0.305658 0.846516 Sn\n0.000000 0.694342 0.153484 Sn\n0.805658 0.500000 0.346516 Sn\n0.346516 0.194342 0.500000 Sn\n0.653484 0.194342 0.500000 Sn\n0.846516 0.000000 0.694342 Sn\n0.500000 0.653484 0.805658 Sn\n0.500000 0.346516 0.194342 Sn\n0.194342 0.500000 0.346516 Sn\n0.846516 0.000000 0.305658 Sn\n0.694342 0.153484 0.000000 Sn\n0.000000 0.305658 0.153484 Sn\n0.694342 0.846516 0.000000 Sn\n0.305658 0.153484 0.000000 Sn\n0.153484 0.000000 0.305658 Sn\n0.805658 0.500000 0.653484 Sn\n0.194342 0.500000 0.653484 Sn\n0.346516 0.805658 0.500000 Sn\n0.653484 0.805658 0.500000 Sn\n0.500000 0.653484 0.194342 Sn\n0.500000 0.346516 0.805658 Sn\n0.153484 0.000000 0.694342 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.750000 0.250000 0.250000 Rh\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Rh"
],
"chemical_system": "Ca-Rh-Sn",
"density": 7.265990745779795,
"density_atomic": 0.04217349936057082,
"volume": 948.4629116975083,
"volume_molar": 14.279442899704613,
"formula_full": "Ca6 Sn26 Rh8",
"formula_reduced": "Ca3Sn13Rh4",
"formula_anonymous": "A3B4C13",
"energy_above_hull": 0.967299768,
"spacegroup": 223
},
{
"id": "jvasp-110998",
"created_at": "2022-09-04T14:38:40.054317Z",
"updated_at": "2022-09-04T14:38:40.054343Z",
"structure_string": "Sr1 Ce1 N2\n1.0\n3.693031 -0.000000 0.000000\n0.000000 3.693031 0.000000\n-0.000000 -0.000000 5.012823\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"N"
],
"chemical_system": "Ce-N-Sr",
"density": 6.211771107055052,
"density_atomic": 0.058507523362344556,
"volume": 68.36727603777534,
"volume_molar": 10.292933991931454,
"formula_full": "Sr1 Ce1 N2",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6710595774999994,
"spacegroup": 123
},
{
"id": "jvasp-114293",
"created_at": "2022-09-04T14:38:40.089071Z",
"updated_at": "2022-09-04T14:38:40.089087Z",
"structure_string": "Sr1 Ge1 H2\n1.0\n0.000000 3.105839 3.105839\n3.105839 0.000000 3.105839\n3.105839 3.105839 0.000000\nSr Ge H\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ge\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"H"
],
"chemical_system": "Ge-H-Sr",
"density": 4.497138443812412,
"density_atomic": 0.06675644152465493,
"volume": 59.91931128507941,
"volume_molar": 9.021063170025117,
"formula_full": "Sr1 Ge1 H2",
"formula_reduced": "SrGeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.352208065,
"spacegroup": 225
},
{
"id": "jvasp-106286",
"created_at": "2022-09-04T14:38:40.090608Z",
"updated_at": "2022-09-04T14:38:40.090640Z",
"structure_string": "La2 Ni6 B2\n1.0\n5.737657 0.011955 -1.778857\n-1.497843 4.259766 -3.961823\n-0.012687 -0.011955 6.007069\nLa Ni B\n2 6 2\ndirect\n0.822286 0.572286 0.250000 La\n0.177714 0.427715 0.750001 La\n0.322797 0.500000 0.322797 Ni\n0.677204 0.500000 0.677204 Ni\n0.677204 -0.000001 0.177203 Ni\n0.322796 0.000001 0.822796 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.381159 0.131158 0.250000 B\n0.618842 0.868842 0.750001 B\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Ni",
"B"
],
"chemical_system": "B-La-Ni",
"density": 7.384245708264012,
"density_atomic": 0.06824650337426608,
"volume": 146.527653514491,
"volume_molar": 8.824101546967734,
"formula_full": "La2 Ni6 B2",
"formula_reduced": "LaNi3B",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9226009566666664,
"spacegroup": 74
},
{
"id": "jvasp-114254",
"created_at": "2022-09-04T14:38:40.271125Z",
"updated_at": "2022-09-04T14:38:40.271144Z",
"structure_string": "Cu1 N1 O2\n1.0\n3.106878 -2.394586 0.727895\n3.106878 2.394586 0.727895\n0.605001 0.000000 3.031093\nCu N O\n1 1 2\ndirect\n0.013534 -0.013533 0.500000 Cu\n0.601642 0.398360 -0.000002 N\n0.263474 0.378589 0.196670 O\n0.621413 0.736528 0.803326 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"N",
"O"
],
"chemical_system": "Cu-N-O",
"density": 4.2313854616357265,
"density_atomic": 0.09304116828557878,
"volume": 42.99172155408106,
"volume_molar": 6.472554967835053,
"formula_full": "Cu1 N1 O2",
"formula_reduced": "CuNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3449201749999995,
"spacegroup": 5
},
{
"id": "jvasp-114190",
"created_at": "2022-09-04T14:38:40.394177Z",
"updated_at": "2022-09-04T14:38:40.394202Z",
"structure_string": "Sc1 Ag1 S1\n1.0\n4.710921 0.000000 -0.000000\n-2.355460 4.079777 0.000000\n0.000000 0.000000 3.394029\nSc Ag S\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Sc\n0.000000 0.000000 0.000000 Ag\n0.333334 0.666668 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"S"
],
"chemical_system": "Ag-S-Sc",
"density": 4.70654958652582,
"density_atomic": 0.04599000526397659,
"volume": 65.2315646145373,
"volume_molar": 13.094455470125961,
"formula_full": "Sc1 Ag1 S1",
"formula_reduced": "ScAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1739141699999998,
"spacegroup": 187
},
{
"id": "jvasp-114201",
"created_at": "2022-09-04T14:38:40.397053Z",
"updated_at": "2022-09-04T14:38:40.397067Z",
"structure_string": "Ag1 P1 S4\n1.0\n-3.199149 2.343421 4.518583\n3.199149 -2.343421 4.518583\n3.199149 2.343421 -4.518583\nAg P S\n1 1 4\ndirect\n0.000000 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 P\n0.627390 0.673852 0.558814 S\n0.372610 0.931424 0.046463 S\n0.884962 0.326148 -0.046462 S\n0.115038 0.068577 0.441187 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 3.2732496869715604,
"density_atomic": 0.044279653096027896,
"volume": 135.50241658370692,
"volume_molar": 13.600243766454025,
"formula_full": "Ag1 P1 S4",
"formula_reduced": "AgPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9082837933333332,
"spacegroup": 23
},
{
"id": "jvasp-114290",
"created_at": "2022-09-04T14:38:40.398755Z",
"updated_at": "2022-09-04T14:38:40.398766Z",
"structure_string": "Sr1 Ge1 H1\n1.0\n3.846923 1.755976 0.000000\n1.852296 6.119103 0.000000\n0.000000 0.000000 3.697620\nSr Ge H\n1 1 1\ndirect\n-0.052878 0.454823 0.000000 Sr\n-0.066353 -0.045189 0.000000 Ge\n0.322510 -0.045167 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"H"
],
"chemical_system": "Ge-H-Sr",
"density": 3.5698850366724133,
"density_atomic": 0.039992481199837504,
"volume": 75.01410040075707,
"volume_molar": 15.058182386604383,
"formula_full": "Sr1 Ge1 H1",
"formula_reduced": "SrGeH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8056907533333333,
"spacegroup": 25
},
{
"id": "jvasp-111506",
"created_at": "2022-09-04T14:38:40.422387Z",
"updated_at": "2022-09-04T14:38:40.422418Z",
"structure_string": "Mn2 Cu2 O8\n1.0\n4.931747 -0.039501 -2.676555\n-1.737132 4.600874 -2.702216\n0.009376 0.039501 5.611237\nMn Cu O\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.126399 0.876398 0.249999 Cu\n0.873602 0.123601 0.750000 Cu\n0.270839 0.269982 0.000856 O\n0.769127 0.269982 0.499143 O\n0.750469 0.715813 0.465344 O\n0.750469 0.285125 0.034655 O\n0.729163 0.730017 0.999143 O\n0.230875 0.730017 0.500856 O\n0.249532 0.284187 0.534655 O\n0.249533 0.714875 0.965345 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 4.743459145589605,
"density_atomic": 0.09392433526316027,
"volume": 127.76241605945901,
"volume_molar": 6.411693777897889,
"formula_full": "Mn2 Cu2 O8",
"formula_reduced": "MnCuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.329900281896552,
"spacegroup": 74
}
]
}