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=-density&page=1264",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1262",
"results": [
{
"id": "jvasp-15712",
"created_at": "2022-09-04T14:36:59.104554Z",
"updated_at": "2022-09-04T14:36:59.104584Z",
"structure_string": "Ba1 Sb2 Pd2\n1.0\n4.433321 0.000000 -1.780833\n-0.715348 4.375227 -1.780833\n0.047436 0.055822 6.526806\nBa Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.635855 0.635856 0.271712 Sb\n0.364145 0.364144 0.728290 Sb\n0.750000 0.250000 0.500001 Pd\n0.250000 0.750000 0.500001 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pd"
],
"chemical_system": "Ba-Pd-Sb",
"density": 7.733265666498607,
"density_atomic": 0.03922168953861522,
"volume": 127.48048487501573,
"volume_molar": 15.354108481407915,
"formula_full": "Ba1 Sb2 Pd2",
"formula_reduced": "Ba(SbPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1873539140000002,
"spacegroup": 139
},
{
"id": "jvasp-37718",
"created_at": "2022-09-04T14:37:57.417381Z",
"updated_at": "2022-09-04T14:37:57.417400Z",
"structure_string": "Pm2 Zn1 Ag1\n1.0\n0.000000 3.677701 3.677701\n3.677701 -0.000000 3.677701\n3.677701 3.677701 0.000000\nPm Zn Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Zn\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Zn",
"Ag"
],
"chemical_system": "Ag-Pm-Zn",
"density": 7.732693124545602,
"density_atomic": 0.04020691410325439,
"volume": 99.48537681175179,
"volume_molar": 14.977873568050233,
"formula_full": "Pm2 Zn1 Ag1",
"formula_reduced": "Pm2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.519728848125,
"spacegroup": 225
},
{
"id": "jvasp-52662",
"created_at": "2022-09-04T14:37:30.762847Z",
"updated_at": "2022-09-04T14:37:30.762880Z",
"structure_string": "Pb2 F4\n1.0\n4.207150 0.006295 0.000109\n-0.006644 4.207049 0.000497\n-0.000158 -0.000669 5.949834\nPb F\n2 4\ndirect\n0.029964 0.970037 -0.000000 Pb\n0.529964 0.470036 0.500000 Pb\n0.529966 0.969927 0.250088 F\n0.030072 0.470032 0.749918 F\n0.029964 0.469932 0.249912 F\n0.530072 0.970039 0.750081 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 7.732544968281693,
"density_atomic": 0.0569744054971278,
"volume": 105.31044506120335,
"volume_molar": 10.569905394280225,
"formula_full": "Pb2 F4",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0009333333333333,
"spacegroup": 225
},
{
"id": "jvasp-23722",
"created_at": "2022-09-04T14:37:34.033452Z",
"updated_at": "2022-09-04T14:37:34.033478Z",
"structure_string": "Yb6 Sb10 O24\n1.0\n8.514199 -0.000000 -3.010224\n-4.257099 7.373512 -3.010224\n0.000000 0.000000 9.030671\nYb Sb O\n6 10 24\ndirect\n0.500000 0.750000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.499996 0.499996 0.499997 Sb\n-0.000000 -0.000000 0.500004 Sb\n0.251865 0.251865 0.000000 Sb\n-0.000000 0.500004 0.000000 Sb\n0.748135 0.748135 0.000001 Sb\n0.251865 -0.000000 0.251865 Sb\n-0.000000 0.251865 0.251865 Sb\n0.500004 0.000000 0.000000 Sb\n-0.000000 0.748135 0.748135 Sb\n0.748135 -0.000000 0.748136 Sb\n-0.000000 0.217716 0.467880 O\n0.467872 0.467872 0.250164 O\n0.250163 0.467872 0.467872 O\n0.782292 0.532128 0.000001 O\n0.782292 -0.000000 0.532129 O\n0.217716 0.467880 0.000000 O\n-0.000000 0.467880 0.217716 O\n-0.000000 0.532128 0.782292 O\n-0.000000 0.782291 0.532128 O\n0.782284 0.250164 0.782284 O\n0.250164 0.782284 0.782284 O\n0.749837 0.217708 0.217709 O\n0.467880 0.217716 0.000000 O\n0.532128 -0.000000 0.782292 O\n0.532120 0.749836 0.532120 O\n0.532128 0.782291 0.000001 O\n0.217708 0.749836 0.217709 O\n0.467872 0.250163 0.467872 O\n0.467880 -0.000000 0.217716 O\n0.217708 0.217708 0.749837 O\n0.217716 -0.000000 0.467880 O\n0.782284 0.782284 0.250165 O\n0.532120 0.532120 0.749836 O\n0.749836 0.532120 0.532120 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Yb",
"density": 7.73189815852081,
"density_atomic": 0.07055402306680887,
"volume": 566.94144800394,
"volume_molar": 8.53550300639487,
"formula_full": "Yb6 Sb10 O24",
"formula_reduced": "Yb3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.0813047300000003,
"spacegroup": 229
},
{
"id": "jvasp-92706",
"created_at": "2022-09-04T14:35:45.007419Z",
"updated_at": "2022-09-04T14:35:45.007443Z",
"structure_string": "Th1 Si3 Rh1\n1.0\n4.311102 -0.000000 0.000000\n0.000000 4.311102 -0.000000\n-2.155551 -2.155551 4.844150\nTh Si Rh\n1 3 1\ndirect\n0.001105 0.001105 0.002211 Th\n0.409954 0.409954 0.819907 Si\n0.763598 0.263598 0.527197 Si\n0.263598 0.763598 0.527197 Si\n0.655743 0.655743 0.311487 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Th",
"density": 7.731722427928609,
"density_atomic": 0.05553615712069043,
"volume": 90.03143644120112,
"volume_molar": 10.843639661478132,
"formula_full": "Th1 Si3 Rh1",
"formula_reduced": "ThSi3Rh",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.19017288,
"spacegroup": 107
},
{
"id": "jvasp-21246",
"created_at": "2022-09-04T14:37:04.396180Z",
"updated_at": "2022-09-04T14:37:04.396192Z",
"structure_string": "Pr4 Rh4 O12\n1.0\n5.423285 0.000000 0.000000\n0.000000 5.876873 0.000000\n0.000000 0.000000 7.865688\nPr Rh O\n4 4 12\ndirect\n0.476490 0.574456 0.750000 Pr\n0.976490 0.925544 0.250000 Pr\n0.023511 0.074456 0.750000 Pr\n0.523511 0.425544 0.250000 Pr\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.893658 0.468246 0.750000 O\n0.393658 0.031754 0.250000 O\n0.813591 0.197247 0.051607 O\n0.313591 0.302752 0.948393 O\n0.686410 0.697247 0.448393 O\n0.313591 0.302752 0.551607 O\n0.186410 0.802752 0.948393 O\n0.686410 0.697247 0.051607 O\n0.106343 0.531754 0.250000 O\n0.813591 0.197247 0.448393 O\n0.186410 0.802752 0.551607 O\n0.606343 0.968245 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Rh",
"O"
],
"chemical_system": "O-Pr-Rh",
"density": 7.731536659761707,
"density_atomic": 0.0797782575493988,
"volume": 250.6948711886315,
"volume_molar": 7.548599010540038,
"formula_full": "Pr4 Rh4 O12",
"formula_reduced": "PrRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0560886700000003,
"spacegroup": 62
},
{
"id": "jvasp-102581",
"created_at": "2022-09-04T14:36:49.901454Z",
"updated_at": "2022-09-04T14:36:49.901475Z",
"structure_string": "Y2 Tl1 In1\n1.0\n4.611312 -0.000000 2.662342\n1.537104 4.347586 2.662342\n-0.000000 -0.000000 5.324684\nY Tl In\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"In"
],
"chemical_system": "In-Tl-Y",
"density": 7.731260694204593,
"density_atomic": 0.03747084295086454,
"volume": 106.74966680747467,
"volume_molar": 16.071537989942804,
"formula_full": "Y2 Tl1 In1",
"formula_reduced": "Y2TlIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0524508675,
"spacegroup": 225
},
{
"id": "jvasp-18270",
"created_at": "2022-09-04T14:38:05.941371Z",
"updated_at": "2022-09-04T14:38:05.941394Z",
"structure_string": "Ce2 Cu2 Sn2\n1.0\n2.303582 -3.989922 -0.000000\n2.303582 3.989922 -0.000000\n0.000000 0.000000 7.533355\nCe Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.512136 Ce\n0.000000 0.000000 0.012136 Ce\n0.666667 0.333333 0.205732 Cu\n0.333333 0.666667 0.705732 Cu\n0.333333 0.666667 0.274530 Sn\n0.666667 0.333333 0.774530 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sn"
],
"chemical_system": "Ce-Cu-Sn",
"density": 7.731253180025221,
"density_atomic": 0.043327610571699024,
"volume": 138.4798266239753,
"volume_molar": 13.899083472499582,
"formula_full": "Ce2 Cu2 Sn2",
"formula_reduced": "CeCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4816792166666668,
"spacegroup": 186
},
{
"id": "jvasp-121301",
"created_at": "2022-09-04T14:38:55.540769Z",
"updated_at": "2022-09-04T14:38:55.540806Z",
"structure_string": "Au1 O1 F2\n1.0\n-1.713793 4.082370 1.926133\n1.713793 -4.082370 1.926133\n1.713793 4.082370 -1.926133\nAu O F\n1 1 2\ndirect\n0.501646 0.001647 0.500000 Au\n0.001650 0.501650 0.499999 O\n0.340928 0.501639 0.839289 F\n0.662348 0.501637 0.160710 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 7.731102197998585,
"density_atomic": 0.07420667962916104,
"volume": 53.903503296327486,
"volume_molar": 8.115362107690203,
"formula_full": "Au1 O1 F2",
"formula_reduced": "AuOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 71
},
{
"id": "jvasp-107979",
"created_at": "2022-09-04T14:35:57.965484Z",
"updated_at": "2022-09-04T14:35:57.965502Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n4.299768 -0.000000 2.482472\n1.433256 4.053860 2.482472\n-0.000000 -0.000000 4.964944\nSc Cd Hg\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Sc\n0.250000 0.250000 0.249999 Sc\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sc",
"density": 7.730935750106991,
"density_atomic": 0.04622020500370027,
"volume": 86.54223839292297,
"volume_molar": 13.029238532191458,
"formula_full": "Sc2 Cd1 Hg1",
"formula_reduced": "Sc2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6727744375,
"spacegroup": 225
},
{
"id": "jvasp-40837",
"created_at": "2022-09-04T14:37:53.978753Z",
"updated_at": "2022-09-04T14:37:53.978779Z",
"structure_string": "Cr1 Ge1 Rh1\n1.0\n3.554097 0.000000 2.051958\n1.184698 3.350835 2.051958\n0.000000 0.000000 4.103918\nCr Ge Rh\n1 1 1\ndirect\n0.500000 0.500001 0.500000 Cr\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"Rh"
],
"chemical_system": "Cr-Ge-Rh",
"density": 7.730879620179139,
"density_atomic": 0.06138189054760495,
"volume": 48.87434996276856,
"volume_molar": 9.810940500976432,
"formula_full": "Cr1 Ge1 Rh1",
"formula_reduced": "CrGeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5274387833333334,
"spacegroup": 216
},
{
"id": "jvasp-54860",
"created_at": "2022-09-04T14:37:40.590297Z",
"updated_at": "2022-09-04T14:37:40.590332Z",
"structure_string": "Y1 Cd3\n1.0\n4.380882 -0.000000 2.529304\n1.460294 4.130335 2.529304\n-0.000000 -0.000000 5.058607\nY Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.500001 0.500000 Cd\n0.749999 0.750001 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Cd"
],
"chemical_system": "Cd-Y",
"density": 7.730764671475987,
"density_atomic": 0.04370007855435121,
"volume": 91.53301623989233,
"volume_molar": 13.780617699599938,
"formula_full": "Y1 Cd3",
"formula_reduced": "YCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0050274999999999,
"spacegroup": 225
}
]
}