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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1563",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1561",
"results": [
{
"id": "jvasp-109105",
"created_at": "2022-09-04T14:37:59.526633Z",
"updated_at": "2022-09-04T14:37:59.526655Z",
"structure_string": "Pb4 I2 O2 F2\n1.0\n7.395029 0.029253 0.000000\n-5.011032 5.438462 0.000000\n0.000000 -0.000000 5.975863\nPb I O F\n4 2 2 2\ndirect\n0.406594 0.593406 0.220583 Pb\n0.593406 0.406593 0.779416 Pb\n0.093406 0.906593 0.220583 Pb\n0.906594 0.093406 0.779416 Pb\n0.750000 0.249999 0.244651 I\n0.250000 0.750000 0.755348 I\n0.250000 0.250000 -0.000000 O\n0.750000 0.749999 -0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.749999 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"I",
"O",
"F"
],
"chemical_system": "F-I-O-Pb",
"density": 7.9347408279132665,
"density_atomic": 0.041457520123075055,
"volume": 241.2107615292225,
"volume_molar": 14.526051587557708,
"formula_full": "Pb4 I2 O2 F2",
"formula_reduced": "Pb2IOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2094523394999997,
"spacegroup": 67
},
{
"id": "jvasp-105916",
"created_at": "2022-09-04T14:36:11.534784Z",
"updated_at": "2022-09-04T14:36:11.534812Z",
"structure_string": "Pb2 I1 O2\n1.0\n3.902849 -0.007492 -6.358383\n-0.317674 3.889906 -6.358383\n0.006918 0.007492 7.460645\nPb I O\n2 1 2\ndirect\n0.337314 0.337314 0.000001 Pb\n0.662687 0.662688 0.000002 Pb\n0.000000 0.000000 0.000000 I\n0.750001 0.250000 0.500001 O\n0.250001 0.750001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb",
"density": 8.378731170448429,
"density_atomic": 0.04400628877982605,
"volume": 113.62012427396893,
"volume_molar": 13.684727630930674,
"formula_full": "Pb2 I1 O2",
"formula_reduced": "Pb2IO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-12493",
"created_at": "2022-09-04T14:38:03.233246Z",
"updated_at": "2022-09-04T14:38:03.233261Z",
"structure_string": "Pb4 Cl2 O2 F2\n1.0\n5.261376 -0.000000 -2.399962\n0.000000 5.796715 -0.000000\n-0.015164 0.000000 6.933930\nPb Cl O F\n4 2 2 2\ndirect\n0.895888 0.221195 0.291774 Pb\n0.104114 0.778804 0.708227 Pb\n0.604114 0.221195 0.708227 Pb\n0.395888 0.778804 0.291773 Pb\n0.750001 0.779527 0.000000 Cl\n0.250000 0.220473 0.000000 Cl\n0.750001 0.000000 0.500001 O\n0.250001 0.000000 0.500000 O\n0.250001 0.500000 0.500000 F\n0.750001 0.500000 0.500001 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-Pb",
"density": 7.621841672431311,
"density_atomic": 0.047333945942483656,
"volume": 211.26487134943667,
"volume_molar": 12.722667929095985,
"formula_full": "Pb4 Cl2 O2 F2",
"formula_reduced": "Pb2ClOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2689298979999999,
"spacegroup": 67
},
{
"id": "jvasp-18475",
"created_at": "2022-09-04T14:36:58.123541Z",
"updated_at": "2022-09-04T14:36:58.123562Z",
"structure_string": "Pb2 Cl1 O2\n1.0\n3.835583 0.000000 -1.104739\n-0.318113 3.822422 -1.104469\n-0.098210 -0.106234 6.869843\nPb Cl O\n2 1 2\ndirect\n0.847568 0.847513 0.695135 Pb\n0.152432 0.152487 0.304864 Pb\n0.500000 0.500000 -0.000000 Cl\n0.749999 0.249995 0.499998 O\n0.250001 0.750006 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb",
"density": 8.015912912586556,
"density_atomic": 0.050091081839042546,
"volume": 99.81816755458543,
"volume_molar": 12.02238110837957,
"formula_full": "Pb2 Cl1 O2",
"formula_reduced": "Pb2ClO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9241605414999996,
"spacegroup": 139
},
{
"id": "jvasp-89268",
"created_at": "2022-09-04T14:38:12.172003Z",
"updated_at": "2022-09-04T14:38:12.172029Z",
"structure_string": "Pb8 C4 Br8 O12\n1.0\n8.381912 0.000000 0.000000\n0.000000 8.381912 -0.000000\n-0.000000 -0.000000 9.134068\nPb C Br O\n8 4 8 12\ndirect\n0.161142 0.661142 0.252295 Pb\n0.338858 0.161142 0.252295 Pb\n0.661142 0.838858 0.252295 Pb\n0.661142 0.838858 0.747705 Pb\n0.338858 0.161142 0.747705 Pb\n0.838858 0.338858 0.252295 Pb\n0.161142 0.661142 0.747705 Pb\n0.838858 0.338858 0.747705 Pb\n0.674820 0.174820 0.000000 C\n0.825180 0.674820 0.000000 C\n0.174820 0.325180 0.000000 C\n0.325180 0.825180 0.000000 C\n0.849963 0.650037 0.500000 Br\n0.650037 0.150037 0.500000 Br\n0.349963 0.849963 0.500000 Br\n0.500000 0.500000 0.232992 Br\n0.000000 0.000000 0.767008 Br\n0.500000 0.500000 0.767008 Br\n0.000000 0.000000 0.232992 Br\n0.150037 0.349963 0.500000 Br\n0.625343 0.125343 0.125675 O\n0.125343 0.374657 0.874326 O\n0.874657 0.625343 0.874326 O\n0.874657 0.625343 0.125675 O\n0.125343 0.374657 0.125675 O\n0.714193 0.785807 0.000000 O\n0.785807 0.285807 0.000000 O\n0.285807 0.214193 0.000000 O\n0.214193 0.714193 0.000000 O\n0.374657 0.874657 0.874326 O\n0.374657 0.874657 0.125675 O\n0.625343 0.125343 0.874326 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pb",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-O-Pb",
"density": 6.564421586352158,
"density_atomic": 0.04986542719332338,
"volume": 641.7271805561624,
"volume_molar": 12.076785658834828,
"formula_full": "Pb8 C4 Br8 O12",
"formula_reduced": "Pb2CBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.81704504375,
"spacegroup": 127
},
{
"id": "jvasp-103358",
"created_at": "2022-09-04T14:37:12.725262Z",
"updated_at": "2022-09-04T14:37:12.725282Z",
"structure_string": "Pb4 Br2 O2 F2\n1.0\n7.084853 0.032862 0.000000\n-4.690223 5.310181 -0.000000\n-0.000000 -0.000000 5.860352\nPb Br O F\n4 2 2 2\ndirect\n0.399671 0.600329 0.221049 Pb\n0.600329 0.399671 0.778950 Pb\n0.100329 0.899671 0.221049 Pb\n0.899670 0.100329 0.778950 Pb\n0.750000 0.250000 0.233882 Br\n0.250000 0.750000 0.766118 Br\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Br",
"O",
"F"
],
"chemical_system": "Br-F-O-Pb",
"density": 7.940411368819362,
"density_atomic": 0.04517108640360234,
"volume": 221.38055105981493,
"volume_molar": 13.331848400085729,
"formula_full": "Pb4 Br2 O2 F2",
"formula_reduced": "Pb2BrOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2427399054999998,
"spacegroup": 67
},
{
"id": "jvasp-117865",
"created_at": "2022-09-04T14:38:53.566314Z",
"updated_at": "2022-09-04T14:38:53.566338Z",
"structure_string": "Pb2 Br1\n1.0\n5.758778 0.000000 1.645019\n0.000000 3.420564 0.000000\n1.695310 0.000000 6.089804\nPb Br\n2 1\ndirect\n-0.098277 0.000000 0.038846 Pb\n0.031415 0.000000 0.474714 Pb\n0.466863 0.000000 -0.113560 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.433585800804014,
"density_atomic": 0.027169171234371545,
"volume": 110.41926800493344,
"volume_molar": 22.165345818062452,
"formula_full": "Pb2 Br1",
"formula_reduced": "Pb2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.21696041,
"spacegroup": 38
},
{
"id": "jvasp-117869",
"created_at": "2022-09-04T14:38:48.630501Z",
"updated_at": "2022-09-04T14:38:48.630526Z",
"structure_string": "Pb2 Br1\n1.0\n5.482973 0.000000 0.000000\n0.000000 3.378082 0.000000\n0.000000 0.000000 6.448862\nPb Br\n2 1\ndirect\n-0.033334 0.000000 0.756386 Pb\n-0.033334 0.000000 0.243613 Pb\n0.466668 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.871852737207793,
"density_atomic": 0.025116081083558575,
"volume": 119.44538600665103,
"volume_molar": 23.9772309221529,
"formula_full": "Pb2 Br1",
"formula_reduced": "Pb2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2464970766666667,
"spacegroup": 47
},
{
"id": "jvasp-18305",
"created_at": "2022-09-04T14:38:09.868693Z",
"updated_at": "2022-09-04T14:38:09.868708Z",
"structure_string": "Pb4 Au2\n1.0\n5.062348 -0.000000 2.759636\n2.531174 5.270778 1.379819\n0.008409 -0.000000 6.007643\nPb Au\n4 2\ndirect\n0.159466 0.500000 0.181067 Pb\n0.340532 0.818934 0.500000 Pb\n0.659467 0.181066 0.500000 Pb\n0.840533 0.500000 0.818934 Pb\n0.250000 0.000000 0.000000 Au\n0.750000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 12.675977124548705,
"density_atomic": 0.03745863238767605,
"volume": 160.1766967331677,
"volume_molar": 16.07677690331613,
"formula_full": "Pb4 Au2",
"formula_reduced": "Pb2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.24461307,
"spacegroup": 140
},
{
"id": "jvasp-961",
"created_at": "2022-09-04T14:37:42.794515Z",
"updated_at": "2022-09-04T14:37:42.794528Z",
"structure_string": "Pb1\n1.0\n3.069878 0.000002 1.772397\n1.023294 2.894308 1.772397\n0.000002 0.000001 3.544790\nPb\n1\ndirect\n-0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.924027044534594,
"density_atomic": 0.03175001377942488,
"volume": 31.496049322915095,
"volume_molar": 18.96736424064974,
"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 8.200000000124774e-07,
"spacegroup": 225
},
{
"id": "jvasp-25161",
"created_at": "2022-09-04T14:38:01.744778Z",
"updated_at": "2022-09-04T14:38:01.744794Z",
"structure_string": "Pb2\n1.0\n3.520082 0.000000 -0.000000\n-1.760041 3.048480 0.000000\n0.000000 -0.000000 5.847821\nPb\n2\ndirect\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
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"chemical_system": "Pb",
"density": 10.965757640628627,
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"volume": 62.75237988568129,
"volume_molar": 18.895183234828274,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.0158508199999999,
"spacegroup": 194
},
{
"id": "jvasp-78365",
"created_at": "2022-09-04T14:38:01.300234Z",
"updated_at": "2022-09-04T14:38:01.300255Z",
"structure_string": "Pb2\n1.0\n-1.745203 -3.022781 -0.000000\n1.745203 -3.022781 -0.000000\n0.000000 -2.015187 6.181638\nPb\n2\ndirect\n0.090824 0.090824 0.727531 Pb\n0.909177 0.909177 0.272469 Pb\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Pb",
"density": 10.550733295730371,
"density_atomic": 0.030665058421845744,
"volume": 65.22081166410571,
"volume_molar": 19.638445416134726,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.06598082,
"spacegroup": 166
}
]
}