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=formula_reduced&page=1141",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1139",
"results": [
{
"id": "jvasp-107172",
"created_at": "2022-09-04T14:38:47.948702Z",
"updated_at": "2022-09-04T14:38:47.948720Z",
"structure_string": "Cu6 Rh2\n1.0\n5.226349 -0.000000 0.000000\n-2.613174 4.526151 0.000000\n-0.000000 -0.000000 4.226210\nCu Rh\n6 2\ndirect\n0.164633 0.329265 0.250000 Cu\n0.670736 0.835367 0.250000 Cu\n0.164633 0.835367 0.250000 Cu\n0.835368 0.670735 0.750000 Cu\n0.329265 0.164632 0.750000 Cu\n0.835368 0.164632 0.750000 Cu\n0.333334 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh",
"density": 9.751536306790715,
"density_atomic": 0.0800223807184126,
"volume": 99.97203192630403,
"volume_molar": 7.525570604042709,
"formula_full": "Cu6 Rh2",
"formula_reduced": "Cu3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4139810875,
"spacegroup": 194
},
{
"id": "jvasp-100170",
"created_at": "2022-09-04T14:36:31.541858Z",
"updated_at": "2022-09-04T14:36:31.541909Z",
"structure_string": "Cu3 Rh1\n1.0\n3.385928 -0.020352 -2.937724\n-0.718037 3.308980 -2.937724\n0.016510 0.020352 4.482685\nCu Rh\n3 1\ndirect\n0.750000 0.250000 0.500001 Cu\n0.249999 0.750000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh",
"density": 9.63984012132389,
"density_atomic": 0.07910578723026691,
"volume": 50.565200601019335,
"volume_molar": 7.612768889424376,
"formula_full": "Cu3 Rh1",
"formula_reduced": "Cu3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4165810875,
"spacegroup": 139
},
{
"id": "jvasp-100300",
"created_at": "2022-09-04T14:36:39.022941Z",
"updated_at": "2022-09-04T14:36:39.022953Z",
"structure_string": "Cu3 Rh1 N1\n1.0\n3.867749 0.000000 0.000000\n-0.000000 3.867749 0.000000\n0.000000 -0.000000 3.867749\nCu Rh N\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"Rh",
"N"
],
"chemical_system": "Cu-N-Rh",
"density": 8.826535326100727,
"density_atomic": 0.08641619835600853,
"volume": 57.85952281077578,
"volume_molar": 6.968763813458453,
"formula_full": "Cu3 Rh1 N1",
"formula_reduced": "Cu3RhN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5038995199999996,
"spacegroup": 221
},
{
"id": "jvasp-106514",
"created_at": "2022-09-04T14:36:54.773046Z",
"updated_at": "2022-09-04T14:36:54.773064Z",
"structure_string": "Cu6 Ru2\n1.0\n5.239439 -0.000000 0.000000\n-2.619719 4.537487 0.000000\n-0.000000 -0.000000 4.197116\nCu Ru\n6 2\ndirect\n0.165123 0.330245 0.250000 Cu\n0.669755 0.834878 0.250000 Cu\n0.165123 0.834878 0.250000 Cu\n0.834878 0.669755 0.750001 Cu\n0.330245 0.165123 0.750001 Cu\n0.834878 0.165123 0.750001 Cu\n0.333333 0.666667 0.750001 Ru\n0.666667 0.333334 0.250000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Ru"
],
"chemical_system": "Cu-Ru",
"density": 9.709039727459379,
"density_atomic": 0.08017497484251118,
"volume": 99.7817587808978,
"volume_molar": 7.5112474582366575,
"formula_full": "Cu6 Ru2",
"formula_reduced": "Cu3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8744929625000001,
"spacegroup": 194
},
{
"id": "jvasp-105743",
"created_at": "2022-09-04T14:35:45.901392Z",
"updated_at": "2022-09-04T14:35:45.901410Z",
"structure_string": "Cu3 Sb1\n1.0\n3.925686 0.000000 -0.000000\n0.000000 3.925686 -0.000000\n0.000000 0.000000 3.925686\nCu Sb\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb",
"density": 8.574536725108489,
"density_atomic": 0.06611702652160054,
"volume": 60.49878844284072,
"volume_molar": 9.108305495306201,
"formula_full": "Cu3 Sb1",
"formula_reduced": "Cu3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1163868625,
"spacegroup": 221
},
{
"id": "jvasp-20543",
"created_at": "2022-09-04T14:38:28.783502Z",
"updated_at": "2022-09-04T14:38:28.783525Z",
"structure_string": "Cu3 Sb1\n1.0\n3.842023 -0.000000 2.218194\n1.280674 3.622295 2.218194\n0.000000 0.000000 4.436386\nCu Sb\n3 1\ndirect\n0.499999 0.499999 0.500000 Cu\n0.250000 0.250000 0.250000 Cu\n0.749999 0.749999 0.750000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb",
"density": 8.402030222320883,
"density_atomic": 0.06478685354717521,
"volume": 61.740920896665536,
"volume_molar": 9.295312907293633,
"formula_full": "Cu3 Sb1",
"formula_reduced": "Cu3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1373068625,
"spacegroup": 225
},
{
"id": "jvasp-12410",
"created_at": "2022-09-04T14:36:33.737032Z",
"updated_at": "2022-09-04T14:36:33.737061Z",
"structure_string": "Cu6 Sb2 S8\n1.0\n6.348291 0.000000 0.000000\n0.000000 6.603411 0.000000\n0.000000 0.000000 7.642611\nCu Sb S\n6 2 8\ndirect\n0.505764 0.331655 0.248714 Cu\n0.007018 0.168069 0.500000 Cu\n0.005764 0.668345 0.748714 Cu\n0.505764 0.331655 0.751285 Cu\n0.005764 0.668345 0.251285 Cu\n0.507018 0.831931 0.000000 Cu\n0.004579 0.167554 0.000000 Sb\n0.504579 0.832446 0.500000 Sb\n0.368272 0.655499 0.765358 S\n0.868272 0.344501 0.734642 S\n0.868272 0.344501 0.265358 S\n0.368272 0.655499 0.234642 S\n0.369391 0.185385 0.500000 S\n0.869391 0.814615 0.000000 S\n0.399838 0.165515 0.000000 S\n0.899838 0.834485 0.500000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 4.567871119807935,
"density_atomic": 0.04994052143209204,
"volume": 320.38111619952605,
"volume_molar": 12.05862611624664,
"formula_full": "Cu6 Sb2 S8",
"formula_reduced": "Cu3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.11916343125,
"spacegroup": 31
},
{
"id": "jvasp-15626",
"created_at": "2022-09-04T14:36:43.470732Z",
"updated_at": "2022-09-04T14:36:43.470752Z",
"structure_string": "Cu3 Sb1 S4\n1.0\n4.963492 -0.000000 -2.222858\n-0.995488 4.862638 -2.222858\n-0.002606 -0.003194 6.647182\nCu Sb S\n3 1 4\ndirect\n0.749999 0.250000 0.499999 Cu\n0.249999 0.750001 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 Sb\n0.132871 0.132872 0.733676 S\n0.399194 0.867129 0.266323 S\n0.867128 0.399195 0.266323 S\n0.600805 0.600807 0.733676 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 4.562939810905655,
"density_atomic": 0.04988660744645993,
"volume": 160.36368094555002,
"volume_molar": 12.071658243072902,
"formula_full": "Cu3 Sb1 S4",
"formula_reduced": "Cu3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.11769968125,
"spacegroup": 121
},
{
"id": "jvasp-59008",
"created_at": "2022-09-04T14:38:38.621508Z",
"updated_at": "2022-09-04T14:38:38.621543Z",
"structure_string": "Cu12 Sb4 Se12\n1.0\n7.065150 0.000000 0.000000\n0.000000 7.981656 0.000000\n0.000000 0.000000 10.535971\nCu Sb Se\n12 4 12\ndirect\n0.072015 0.667256 0.250000 Cu\n0.572015 0.832745 0.750000 Cu\n0.927985 0.332745 0.750000 Cu\n0.427985 0.167255 0.250000 Cu\n0.227606 0.096361 0.044268 Cu\n0.727606 0.403639 0.955732 Cu\n0.272394 0.596361 0.455732 Cu\n0.772394 0.903639 0.544267 Cu\n0.772394 0.903639 0.955732 Cu\n0.272394 0.596361 0.044268 Cu\n0.727606 0.403639 0.544267 Cu\n0.227606 0.096361 0.455732 Cu\n0.905793 0.242116 0.250000 Sb\n0.405793 0.257884 0.750000 Sb\n0.594207 0.742117 0.250000 Sb\n0.094207 0.757884 0.750000 Sb\n0.341847 0.846597 0.931672 Se\n0.841847 0.653404 0.068328 Se\n0.658153 0.153404 0.431672 Se\n0.158153 0.346596 0.568328 Se\n0.138811 0.984673 0.250000 Se\n0.638811 0.515327 0.750000 Se\n0.361189 0.484673 0.250000 Se\n0.861189 0.015327 0.750000 Se\n0.658153 0.153404 0.068328 Se\n0.158153 0.346596 0.931672 Se\n0.841847 0.653404 0.431672 Se\n0.341847 0.846597 0.568328 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"Se"
],
"chemical_system": "Cu-Sb-Se",
"density": 6.140621571800275,
"density_atomic": 0.04712692157784794,
"volume": 594.1402294598727,
"volume_molar": 12.778557474950185,
"formula_full": "Cu12 Sb4 Se12",
"formula_reduced": "Cu3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.7163096500000001,
"spacegroup": 62
},
{
"id": "jvasp-88894",
"created_at": "2022-09-04T14:36:18.210384Z",
"updated_at": "2022-09-04T14:36:18.210409Z",
"structure_string": "Cu3 Sb1 Se4\n1.0\n5.228823 -0.000000 -2.345325\n-1.051968 5.121910 -2.345325\n-0.003660 -0.004488 6.993245\nCu Sb Se\n3 1 4\ndirect\n0.749999 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Cu\n0.249999 0.750000 0.499999 Cu\n0.000000 0.000000 0.000000 Sb\n0.134080 0.134079 0.730850 Se\n0.596769 0.596770 0.730849 Se\n0.865920 0.403230 0.269150 Se\n0.403230 0.865920 0.269150 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"Se"
],
"chemical_system": "Cu-Sb-Se",
"density": 5.573320211986807,
"density_atomic": 0.0427396226636865,
"volume": 187.17993986402595,
"volume_molar": 14.090299316368744,
"formula_full": "Cu3 Sb1 Se4",
"formula_reduced": "Cu3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8377576145833334,
"spacegroup": 121
},
{
"id": "jvasp-12329",
"created_at": "2022-09-04T14:38:02.908727Z",
"updated_at": "2022-09-04T14:38:02.908753Z",
"structure_string": "Cu6 Se4\n1.0\n6.404545 0.000000 0.000000\n0.000000 6.404545 0.000000\n0.000000 -0.000000 4.375375\nCu Se\n6 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.145251 0.645251 0.759629 Cu\n0.354749 0.145251 0.240372 Cu\n0.645251 0.854748 0.240372 Cu\n0.854748 0.354749 0.759629 Cu\n0.268817 0.768817 0.265376 Se\n0.231182 0.268817 0.734625 Se\n0.768817 0.731182 0.734625 Se\n0.731182 0.231182 0.265376 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.450038459205645,
"density_atomic": 0.055719621300003505,
"volume": 179.46999219823073,
"volume_molar": 10.807935552138474,
"formula_full": "Cu6 Se4",
"formula_reduced": "Cu3Se2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.2964356166666667,
"spacegroup": 113
},
{
"id": "jvasp-29434",
"created_at": "2022-09-04T14:37:53.702783Z",
"updated_at": "2022-09-04T14:37:53.702809Z",
"structure_string": "Cu3 Se2 Cl2 O6\n1.0\n5.319048 0.075549 1.535571\n1.616304 5.068091 1.535571\n-0.021577 -0.016002 7.616257\nCu Se Cl O\n3 2 2 6\ndirect\n0.593942 0.593942 0.156312 Cu\n0.000000 0.000000 0.000000 Cu\n0.406057 0.406058 0.843689 Cu\n0.166018 0.166019 0.265122 Se\n0.833981 0.833982 0.734879 Se\n0.294526 0.294527 0.623945 Cl\n0.705473 0.705473 0.376055 Cl\n0.725948 0.107304 0.852557 O\n0.274051 0.892696 0.147444 O\n0.354871 0.354871 0.131963 O\n0.645128 0.645129 0.868037 O\n0.892696 0.274052 0.147443 O\n0.107303 0.725948 0.852557 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cu",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Se",
"density": 4.182651932857679,
"density_atomic": 0.06352587765810433,
"volume": 204.64101369784888,
"volume_molar": 9.479822998134878,
"formula_full": "Cu3 Se2 Cl2 O6",
"formula_reduced": "Cu3Se2(ClO3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 1.474209786025641,
"spacegroup": 12
}
]
}