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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3404",
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"results": [
{
"id": "jvasp-116387",
"created_at": "2022-09-04T14:38:42.688011Z",
"updated_at": "2022-09-04T14:38:42.688037Z",
"structure_string": "Sb1 Pb1 O2\n1.0\n3.497056 0.000000 -0.000000\n-0.000000 3.497056 -0.000000\n-0.000000 0.000000 5.819753\nSb Pb O\n1 1 2\ndirect\n0.500001 0.500001 0.528248 Sb\n0.000000 0.000000 0.009937 Pb\n0.000000 0.000000 0.594466 O\n0.500001 0.500001 0.877347 O\n",
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"formula_full": "Sb1 Pb1 O2",
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{
"id": "jvasp-116386",
"created_at": "2022-09-04T14:38:41.889084Z",
"updated_at": "2022-09-04T14:38:41.889103Z",
"structure_string": "Sb1 Pb1 O3\n1.0\n4.206687 -0.000000 0.000000\n-0.000000 4.206687 -0.000000\n-0.000000 -0.000000 4.206687\nSb Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 74.44243976022507,
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"formula_full": "Sb1 Pb1 O3",
"formula_reduced": "SbPbO3",
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"spacegroup": 221
},
{
"id": "jvasp-99842",
"created_at": "2022-09-04T14:36:51.901368Z",
"updated_at": "2022-09-04T14:36:51.901393Z",
"structure_string": "Sb1 Pb1 O3\n1.0\n4.209791 0.000000 -0.000000\n0.000000 4.209791 0.000000\n0.000000 0.000000 4.209791\nSb Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.389975382001131,
"density_atomic": 0.06701752706375155,
"volume": 74.6073485409819,
"volume_molar": 8.985919092883474,
"formula_full": "Sb1 Pb1 O3",
"formula_reduced": "SbPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.679119484,
"spacegroup": 221
},
{
"id": "jvasp-99505",
"created_at": "2022-09-04T14:36:46.453312Z",
"updated_at": "2022-09-04T14:36:46.453327Z",
"structure_string": "Sb1 Pb1 S2\n1.0\n6.164230 -0.009575 0.000000\n-4.947539 3.676912 0.000000\n0.000000 -0.000000 4.419322\nSb Pb S\n1 1 2\ndirect\n0.869874 0.130124 -0.000000 Sb\n0.116635 0.883364 0.500000 Pb\n0.361178 0.638820 0.500000 S\n0.652310 0.347688 -0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sb",
"density": 6.530283604737746,
"density_atomic": 0.04001759096801367,
"volume": 99.956041911599,
"volume_molar": 15.048733855102718,
"formula_full": "Sb1 Pb1 S2",
"formula_reduced": "SbPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.33113923,
"spacegroup": 38
},
{
"id": "jvasp-19968",
"created_at": "2022-09-04T14:38:17.167643Z",
"updated_at": "2022-09-04T14:38:17.167660Z",
"structure_string": "Sb2 Pd2\n1.0\n2.071075 -3.587208 -0.000000\n2.071075 3.587208 -0.000000\n-0.000000 0.000000 5.711446\nSb Pd\n2 2\ndirect\n0.333334 0.666668 0.750001 Sb\n0.666668 0.333334 0.250000 Sb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb",
"density": 8.929522017734874,
"density_atomic": 0.047133700174337864,
"volume": 84.86496891194247,
"volume_molar": 12.776719709518542,
"formula_full": "Sb2 Pd2",
"formula_reduced": "SbPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.8934909000000002,
"spacegroup": 194
},
{
"id": "jvasp-39231",
"created_at": "2022-09-04T14:37:52.691742Z",
"updated_at": "2022-09-04T14:37:52.691760Z",
"structure_string": "Sb1 Pd3\n1.0\n0.000000 3.225220 3.225220\n3.225220 -0.000000 3.225220\n3.225220 3.225220 -0.000000\nSb Pd\n1 3\ndirect\n0.750001 0.750001 0.750001 Sb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.250001 0.250001 0.250001 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb",
"density": 10.914387128741113,
"density_atomic": 0.05961450784193497,
"volume": 67.0977610115613,
"volume_molar": 10.101804037311554,
"formula_full": "Sb1 Pd3",
"formula_reduced": "SbPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5689958000000004,
"spacegroup": 225
},
{
"id": "jvasp-102979",
"created_at": "2022-09-04T14:36:54.802977Z",
"updated_at": "2022-09-04T14:36:54.802999Z",
"structure_string": "Sb2 Pd6\n1.0\n5.753698 0.000000 0.000000\n-2.876848 4.982849 0.000000\n0.000000 0.000000 4.673262\nSb Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.166587 0.333173 0.250000 Pd\n0.666827 0.833414 0.250000 Pd\n0.166587 0.833414 0.250000 Pd\n0.833414 0.666827 0.750000 Pd\n0.333173 0.166587 0.750000 Pd\n0.833414 0.166587 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb",
"density": 10.931819664013938,
"density_atomic": 0.059709724549796665,
"volume": 133.98152579531944,
"volume_molar": 10.085695094737309,
"formula_full": "Sb2 Pd6",
"formula_reduced": "SbPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5708108000000005,
"spacegroup": 194
},
{
"id": "jvasp-106337",
"created_at": "2022-09-04T14:38:40.151389Z",
"updated_at": "2022-09-04T14:38:40.151426Z",
"structure_string": "Sb1 Pd6 S1\n1.0\n4.322758 -0.008208 6.342803\n1.949814 3.858048 6.342803\n-0.013373 -0.008208 7.675754\nSb Pd S\n1 6 1\ndirect\n0.500000 0.500000 0.499999 Sb\n0.630778 0.630777 0.630776 Pd\n0.115858 0.115858 0.115858 Pd\n0.884142 0.884141 0.884141 Pd\n0.369223 0.369222 0.369222 Pd\n0.243381 0.243381 0.243380 Pd\n0.756620 0.756619 0.756618 Pd\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"Pd",
"S"
],
"chemical_system": "Pd-S-Sb",
"density": 10.232216166157896,
"density_atomic": 0.06221516744412587,
"volume": 128.58600769956348,
"volume_molar": 9.679537976665188,
"formula_full": "Sb1 Pd6 S1",
"formula_reduced": "SbPd6S",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.9471125375000005,
"spacegroup": 166
},
{
"id": "jvasp-20990",
"created_at": "2022-09-04T14:38:39.043120Z",
"updated_at": "2022-09-04T14:38:39.043145Z",
"structure_string": "Sb4 Pd4 Se4\n1.0\n6.429814 -0.000000 -0.000000\n0.000000 6.429814 -0.000000\n0.000000 -0.000000 6.429814\nSb Pd Se\n4 4 4\ndirect\n0.873400 0.626600 0.373400 Sb\n0.373400 0.873400 0.626600 Sb\n0.126600 0.126600 0.126600 Sb\n0.626600 0.373400 0.873400 Sb\n0.747131 0.247132 0.252868 Pd\n0.247132 0.252868 0.747131 Pd\n0.252868 0.747131 0.247132 Pd\n0.752868 0.752868 0.752868 Pd\n0.367962 0.367962 0.367962 Se\n0.132037 0.632037 0.867962 Se\n0.867962 0.132037 0.632037 Se\n0.632037 0.867962 0.132037 Se\n",
"nsites": 12,
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"elements": [
"Sb",
"Pd",
"Se"
],
"chemical_system": "Pd-Sb-Se",
"density": 7.674502623420389,
"density_atomic": 0.04514254256417116,
"volume": 265.8246372131504,
"volume_molar": 13.340278189779383,
"formula_full": "Sb4 Pd4 Se4",
"formula_reduced": "SbPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2447817222222226,
"spacegroup": 198
},
{
"id": "jvasp-116080",
"created_at": "2022-09-04T14:38:50.515428Z",
"updated_at": "2022-09-04T14:38:50.515459Z",
"structure_string": "Sb1 P1 F1\n1.0\n2.853800 -0.000000 -0.000000\n0.000000 2.853800 -0.000000\n0.000000 -0.000000 7.860807\nSb P F\n1 1 1\ndirect\n0.000000 0.000000 0.654279 Sb\n0.000000 0.000000 0.258194 P\n0.000000 0.000000 0.047120 F\n",
"nsites": 3,
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"elements": [
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"F"
],
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"density": 4.454372600958823,
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"volume": 64.01978344717308,
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"formula_full": "Sb1 P1 F1",
"formula_reduced": "SbPF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1182339608333334,
"spacegroup": 99
},
{
"id": "jvasp-116078",
"created_at": "2022-09-04T14:38:50.505792Z",
"updated_at": "2022-09-04T14:38:50.505809Z",
"structure_string": "Sb1 P1 F1\n1.0\n4.571876 -0.000000 -0.000000\n-2.285938 3.959361 0.000000\n0.000000 -0.000000 2.938160\nSb P F\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sb\n0.333334 0.666667 0.000000 P\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"density": 5.3617400843443,
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"volume": 53.18571299997636,
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"formula_full": "Sb1 P1 F1",
"formula_reduced": "SbPF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1162672941666667,
"spacegroup": 187
},
{
"id": "jvasp-30325",
"created_at": "2022-09-04T14:38:02.112093Z",
"updated_at": "2022-09-04T14:38:02.112103Z",
"structure_string": "Sb4 P4 O16\n1.0\n6.804726 0.000000 0.000000\n0.000000 9.415235 0.000000\n-0.000000 0.000000 5.074818\nSb P O\n4 4 16\ndirect\n0.250000 0.338574 0.679331 Sb\n0.250000 0.838573 0.820669 Sb\n0.750000 0.161426 0.179331 Sb\n0.750000 0.661426 0.320669 Sb\n0.250000 0.108487 0.203725 P\n0.250000 0.608487 0.296275 P\n0.750000 0.391513 0.703725 P\n0.750000 0.891513 0.796276 P\n0.750000 0.856874 0.494084 O\n0.750000 0.356874 0.005916 O\n0.750000 0.056149 0.810456 O\n0.750000 0.556148 0.689545 O\n0.568487 0.328175 0.564973 O\n0.568487 0.828175 0.935028 O\n0.431514 0.671824 0.435027 O\n0.250000 0.443851 0.310456 O\n0.250000 0.643126 -0.005916 O\n0.250000 0.943851 0.189544 O\n0.931514 0.328175 0.564973 O\n0.250000 0.143126 0.505916 O\n0.068487 0.671824 0.435027 O\n0.068487 0.171824 0.064973 O\n0.431514 0.171824 0.064973 O\n0.931514 0.828175 0.935028 O\n",
"nsites": 24,
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"volume": 325.13391868991476,
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"formula_full": "Sb4 P4 O16",
"formula_reduced": "SbPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
}
]
}