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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1242",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1240",
"results": [
{
"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-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-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-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-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-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",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.408561293683794,
"density_atomic": 0.06716598779009285,
"volume": 74.44243976022507,
"volume_molar": 8.96605701507792,
"formula_full": "Sb1 Pb1 O3",
"formula_reduced": "SbPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6778034839999998,
"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,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"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-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",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.421646442477522,
"density_atomic": 0.0562018051091475,
"volume": 71.17209122076675,
"volume_molar": 10.715208787875438,
"formula_full": "Sb1 Pb1 O2",
"formula_reduced": "SbPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4245934799999995,
"spacegroup": 99
},
{
"id": "jvasp-102686",
"created_at": "2022-09-04T14:36:54.444822Z",
"updated_at": "2022-09-04T14:36:54.444842Z",
"structure_string": "Sb1 Pb1 I1 O2\n1.0\n3.836883 0.008946 -6.382962\n-0.287660 3.826095 -6.382962\n-0.008280 -0.008946 7.447403\nSb Pb I O\n1 1 1 2\ndirect\n0.323081 0.323082 0.000001 Sb\n0.648086 0.648088 0.000001 Pb\n0.993841 0.993844 0.000002 I\n0.753895 0.253896 0.500000 O\n0.253895 0.753896 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb-Sb",
"density": 7.438271913921167,
"density_atomic": 0.04590868307453012,
"volume": 108.9118586103371,
"volume_molar": 13.117650859693361,
"formula_full": "Sb1 Pb1 I1 O2",
"formula_reduced": "SbPbIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.114536039,
"spacegroup": 107
},
{
"id": "jvasp-121802",
"created_at": "2022-09-04T14:38:55.583076Z",
"updated_at": "2022-09-04T14:38:55.583104Z",
"structure_string": "Sb2 Pb2 F14\n1.0\n4.628096 -0.007450 -0.986834\n-0.526135 7.133059 -2.087868\n0.005039 -0.037733 7.659213\nSb Pb F\n2 2 14\ndirect\n0.351827 0.182919 0.282969 Sb\n0.648176 0.817082 0.717031 Sb\n0.830658 0.647424 0.203933 Pb\n0.169344 0.352577 0.796067 Pb\n0.791831 0.582476 0.599076 F\n0.208171 0.417525 0.400925 F\n0.344569 0.684997 0.774052 F\n0.655433 0.315004 0.225949 F\n0.413166 0.800952 0.475175 F\n0.586836 0.199048 0.524825 F\n0.484524 0.945810 0.168735 F\n0.112238 0.185232 0.046552 F\n0.951585 0.947282 0.659109 F\n0.048418 0.052718 0.340891 F\n0.281533 0.565222 0.093002 F\n0.718469 0.434779 0.906998 F\n0.515478 0.054190 0.831265 F\n0.887764 0.814769 0.953448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sb",
"density": 6.076612339546273,
"density_atomic": 0.07129532922652185,
"volume": 252.47095700771382,
"volume_molar": 8.446753560624227,
"formula_full": "Sb2 Pb2 F14",
"formula_reduced": "SbPbF7",
"formula_anonymous": "ABC7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-12499",
"created_at": "2022-09-04T14:37:34.966118Z",
"updated_at": "2022-09-04T14:37:34.966131Z",
"structure_string": "Sb2 Pb2 Cl2 O4\n1.0\n5.496436 -0.000000 -0.000000\n-0.000000 5.134622 -2.353088\n-0.000000 0.000215 6.779085\nSb Pb Cl O\n2 2 2 4\ndirect\n0.250000 0.919026 0.838054 Sb\n0.750001 0.080973 0.161946 Sb\n0.250000 0.617719 0.235438 Pb\n0.750001 0.382279 0.764562 Pb\n0.750001 0.743686 0.487373 Cl\n0.250000 0.256313 0.512626 Cl\n0.500000 0.227743 -0.000000 O\n0.000000 0.772257 -0.000000 O\n0.500000 0.772257 -0.000000 O\n0.000000 0.227743 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Sb",
"density": 6.8811119344286,
"density_atomic": 0.05226764777028,
"volume": 191.32293926734002,
"volume_molar": 11.521736708848527,
"formula_full": "Sb2 Pb2 Cl2 O4",
"formula_reduced": "SbPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1555795975,
"spacegroup": 63
},
{
"id": "jvasp-111010",
"created_at": "2022-09-04T14:38:48.488080Z",
"updated_at": "2022-09-04T14:38:48.488109Z",
"structure_string": "Sb1 Pb1 Br1 O2\n1.0\n3.771619 0.012342 -5.990649\n-0.303684 3.759394 -5.990649\n-0.011347 -0.012342 7.079044\nSb Pb Br O\n1 1 1 2\ndirect\n0.328855 0.328854 -0.000000 Sb\n0.639504 0.639502 -0.000000 Pb\n0.998571 0.998568 -0.000001 Br\n0.754437 0.254436 0.499999 O\n0.254437 0.754436 0.499999 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-O-Pb-Sb",
"density": 7.332116051608733,
"density_atomic": 0.05007797771404421,
"volume": 99.84428741414145,
"volume_molar": 12.025527057797124,
"formula_full": "Sb1 Pb1 Br1 O2",
"formula_reduced": "SbPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.140417605,
"spacegroup": 107
}
]
}