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=-chemical_system&page=4454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4452",
"results": [
{
"id": "jvasp-8419",
"created_at": "2022-09-04T14:37:10.071028Z",
"updated_at": "2022-09-04T14:37:10.071050Z",
"structure_string": "Ba1 Al1 Cu1 Ni1 O5\n1.0\n3.713012 0.000000 0.000000\n0.000000 3.713012 0.000000\n0.000000 -0.000000 7.458926\nBa Al Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.969816 Ba\n0.000000 0.000000 0.462622 Al\n0.500000 0.500000 0.249079 Cu\n0.500000 0.500000 0.687721 Ni\n0.000000 0.500000 0.628536 O\n0.500000 0.000000 0.628536 O\n0.000000 0.500000 0.304103 O\n0.500000 0.000000 0.304103 O\n0.500000 0.500000 0.953410 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Ni",
"O"
],
"chemical_system": "Al-Ba-Cu-Ni-O",
"density": 5.918986102462162,
"density_atomic": 0.0875212486975701,
"volume": 102.8321708605818,
"volume_molar": 6.880775639764377,
"formula_full": "Ba1 Al1 Cu1 Ni1 O5",
"formula_reduced": "BaAlCuNiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.6654010133333337,
"spacegroup": 99
},
{
"id": "jvasp-8424",
"created_at": "2022-09-04T14:37:06.703234Z",
"updated_at": "2022-09-04T14:37:06.703246Z",
"structure_string": "Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.749299 0.000000 0.000000\n0.000000 3.749299 0.000000\n0.000000 0.000000 8.291995\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968065 Ba\n0.000000 0.000000 0.556916 Al\n0.500000 0.500000 0.719446 Cu\n0.500000 0.500000 0.302636 Mo\n0.500000 0.000000 0.400071 O\n0.000000 0.500000 0.400071 O\n0.500000 0.000000 0.697718 O\n0.000000 0.500000 0.697718 O\n0.500000 0.500000 0.069421 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Mo",
"O"
],
"chemical_system": "Al-Ba-Cu-Mo-O",
"density": 5.752374176567945,
"density_atomic": 0.07721173755845362,
"volume": 116.56258859848214,
"volume_molar": 7.799514621000339,
"formula_full": "Ba1 Al1 Cu1 Mo1 O5",
"formula_reduced": "BaAlCuMoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.305038068888889,
"spacegroup": 99
},
{
"id": "jvasp-8418",
"created_at": "2022-09-04T14:37:07.132554Z",
"updated_at": "2022-09-04T14:37:07.132582Z",
"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-Mn-O",
"density": 5.574891005977465,
"density_atomic": 0.08328657133509468,
"volume": 108.06063757612803,
"volume_molar": 7.23062633443098,
"formula_full": "Ba1 Mn1 Al1 Cu1 O5",
"formula_reduced": "BaMnAlCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.0595582179310346,
"spacegroup": 99
},
{
"id": "jvasp-8413",
"created_at": "2022-09-04T14:37:06.222864Z",
"updated_at": "2022-09-04T14:37:06.222883Z",
"structure_string": "Ba1 Al1 Fe1 Cu1 O5\n1.0\n3.734589 0.000000 0.000000\n0.000000 3.734589 0.000000\n-0.000000 0.000000 7.790648\nBa Al Fe Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005583 Ba\n0.000000 0.000000 0.466074 Al\n0.500000 0.500000 0.687171 Fe\n0.500000 0.500000 0.272597 Cu\n0.000000 0.500000 0.615062 O\n0.500000 0.000000 0.615062 O\n0.000000 0.500000 0.299666 O\n0.500000 0.000000 0.299666 O\n0.500000 0.500000 0.927037 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Fe",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-Fe-O",
"density": 5.558134545692788,
"density_atomic": 0.08282916814065329,
"volume": 108.65737519803389,
"volume_molar": 7.270555645052144,
"formula_full": "Ba1 Al1 Fe1 Cu1 O5",
"formula_reduced": "BaAlFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.96729358,
"spacegroup": 99
},
{
"id": "jvasp-9212",
"created_at": "2022-09-04T14:38:13.869469Z",
"updated_at": "2022-09-04T14:38:13.869491Z",
"structure_string": "Ba2 Al1 Cr3 O7\n1.0\n3.818348 -0.000000 0.000000\n0.000000 3.861203 0.000000\n0.000000 0.000000 11.318462\nBa Al Cr O\n2 1 3 7\ndirect\n0.500000 0.500000 0.181013 Ba\n0.500000 0.500000 0.818986 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.354467 Cr\n0.000000 0.000000 0.645533 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.391308 O\n0.500000 0.000000 0.608692 O\n0.000000 0.500000 0.390865 O\n0.000000 0.500000 0.609134 O\n0.000000 0.000000 0.176963 O\n0.000000 0.000000 0.823037 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Ba-Cr-O",
"density": 5.668243417498257,
"density_atomic": 0.0779036477098185,
"volume": 166.87280226496452,
"volume_molar": 7.7302423404251,
"formula_full": "Ba2 Al1 Cr3 O7",
"formula_reduced": "Ba2AlCr3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.897963187692308,
"spacegroup": 47
},
{
"id": "jvasp-9196",
"created_at": "2022-09-04T14:37:52.005388Z",
"updated_at": "2022-09-04T14:37:52.005404Z",
"structure_string": "Ba2 Al1 Cr3 O8\n1.0\n3.847126 0.000000 0.000000\n0.000000 3.847126 -0.000000\n0.000000 0.000000 11.417827\nBa Al Cr O\n2 1 3 8\ndirect\n0.500000 0.500000 0.174457 Ba\n0.500000 0.500000 0.825582 Ba\n0.500000 0.500000 0.500006 Al\n0.000000 0.000000 0.354679 Cr\n0.000000 0.000000 0.000042 Cr\n0.000000 0.000000 0.645317 Cr\n0.000000 0.500000 0.391862 O\n0.500000 0.000000 0.391862 O\n0.500000 0.000000 0.000010 O\n0.000000 0.000000 0.184407 O\n0.000000 0.500000 0.608106 O\n0.500000 0.000000 0.608106 O\n0.000000 0.000000 0.815557 O\n0.000000 0.500000 0.000010 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Ba-Cr-O",
"density": 5.754505446993924,
"density_atomic": 0.08284604042438307,
"volume": 168.9881607893906,
"volume_molar": 7.2690749360515925,
"formula_full": "Ba2 Al1 Cr3 O8",
"formula_reduced": "Ba2AlCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.911129638571428,
"spacegroup": 123
},
{
"id": "jvasp-8425",
"created_at": "2022-09-04T14:37:00.828907Z",
"updated_at": "2022-09-04T14:37:00.828936Z",
"structure_string": "Ba1 Al1 Cr1 Cu1 O5\n1.0\n3.757773 0.000000 0.000000\n0.000000 3.757773 0.000000\n0.000000 -0.000000 7.631716\nBa Al Cr Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.996918 Ba\n0.000000 0.000000 0.457895 Al\n0.500000 0.500000 0.685426 Cr\n0.500000 0.500000 0.270803 Cu\n0.000000 0.500000 0.624194 O\n0.500000 0.000000 0.624194 O\n0.000000 0.500000 0.300818 O\n0.500000 0.000000 0.300818 O\n0.500000 0.500000 0.926856 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cr",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cr-Cu-O",
"density": 5.5447819328168535,
"density_atomic": 0.08351398853676012,
"volume": 107.76637731819616,
"volume_molar": 7.210936593393873,
"formula_full": "Ba1 Al1 Cr1 Cu1 O5",
"formula_reduced": "BaAlCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.125514902222222,
"spacegroup": 99
},
{
"id": "jvasp-9201",
"created_at": "2022-09-04T14:36:37.044723Z",
"updated_at": "2022-09-04T14:36:37.044747Z",
"structure_string": "Ba2 Al1 Co3 O8\n1.0\n3.690094 0.000000 0.000000\n-0.000000 3.690094 0.000000\n0.000000 0.000000 12.440097\nBa Al Co O\n2 1 3 8\ndirect\n0.499999 0.499999 0.824708 Ba\n0.499999 0.499999 0.175244 Ba\n0.499999 0.499999 0.500008 Al\n0.000000 0.000000 0.633709 Co\n0.000000 0.000000 0.999960 Co\n0.000000 0.000000 0.366314 Co\n0.000000 0.499999 0.596501 O\n0.499999 0.000000 0.596501 O\n0.499999 0.000000 0.999976 O\n0.000000 0.000000 0.780852 O\n0.000000 0.499999 0.403537 O\n0.499999 0.000000 0.403537 O\n0.000000 0.000000 0.219179 O\n0.000000 0.499999 0.999976 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Ba-Co-O",
"density": 5.944719692522139,
"density_atomic": 0.08264744083664341,
"volume": 169.39423481571154,
"volume_molar": 7.286542328519341,
"formula_full": "Ba2 Al1 Co3 O8",
"formula_reduced": "Ba2AlCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.547454674285714,
"spacegroup": 123
},
{
"id": "jvasp-8423",
"created_at": "2022-09-04T14:37:11.236615Z",
"updated_at": "2022-09-04T14:37:11.236637Z",
"structure_string": "Ba1 Al1 Co1 Cu1 O5\n1.0\n3.719208 0.000000 0.000000\n-0.000000 3.719208 0.000000\n-0.000000 0.000000 7.392953\nBa Al Co Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.972103 Ba\n0.000000 0.000000 0.462754 Al\n0.500000 0.500000 0.687054 Co\n0.500000 0.500000 0.255414 Cu\n0.000000 0.500000 0.632671 O\n0.500000 0.000000 0.632671 O\n0.000000 0.500000 0.302589 O\n0.500000 0.000000 0.302589 O\n0.500000 0.500000 0.940073 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Co",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Co-Cu-O",
"density": 5.955818694892818,
"density_atomic": 0.08800829948357193,
"volume": 102.26308260483984,
"volume_molar": 6.842696422198365,
"formula_full": "Ba1 Al1 Co1 Cu1 O5",
"formula_reduced": "BaAlCoCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9569608466666664,
"spacegroup": 99
},
{
"id": "jvasp-24338",
"created_at": "2022-09-04T14:38:19.377394Z",
"updated_at": "2022-09-04T14:38:19.377414Z",
"structure_string": "Ba10 Al4 In4 Ir2 Cl2 O26\n1.0\n2.954675 -5.117648 0.000000\n2.954675 5.117648 0.000000\n-0.000000 -0.000000 25.475164\nBa Al In Ir Cl O\n10 4 4 2 2 26\ndirect\n0.000000 0.000000 0.750000 Ba\n0.666668 0.333334 0.039819 Ba\n0.333334 0.666668 0.539819 Ba\n0.333334 0.666668 0.368888 Ba\n0.666668 0.333334 0.631112 Ba\n0.666668 0.333334 0.868888 Ba\n0.333334 0.666668 0.960181 Ba\n0.333334 0.666668 0.131112 Ba\n0.666668 0.333334 0.460181 Ba\n0.000000 0.000000 0.250000 Ba\n0.333334 0.666668 0.681827 Al\n0.666668 0.333334 0.181828 Al\n0.666668 0.333334 0.318172 Al\n0.333334 0.666668 0.818172 Al\n0.000000 0.000000 0.612157 In\n0.000000 0.000000 0.387842 In\n0.000000 0.000000 0.887842 In\n0.000000 0.000000 0.112158 In\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.666668 0.333334 0.750000 Cl\n0.333334 0.666668 0.250000 Cl\n0.666668 0.333334 0.250000 O\n0.173037 0.346074 0.844530 O\n0.173037 0.346074 0.655469 O\n0.826964 0.653927 0.344530 O\n0.687899 0.843950 0.047621 O\n0.826964 0.173038 0.155469 O\n0.843950 0.156052 0.547621 O\n0.653927 0.826964 0.655469 O\n0.346074 0.173037 0.155469 O\n0.843950 0.687899 0.952379 O\n0.312102 0.156051 0.952379 O\n0.687899 0.843950 0.452379 O\n0.333334 0.666668 0.750000 O\n0.312102 0.156051 0.547621 O\n0.843950 0.156052 0.952379 O\n0.156051 0.312102 0.452379 O\n0.346074 0.173037 0.344530 O\n0.156052 0.843950 0.047621 O\n0.156052 0.843950 0.452379 O\n0.826964 0.173038 0.344530 O\n0.173038 0.826964 0.844530 O\n0.843950 0.687899 0.547621 O\n0.156051 0.312102 0.047621 O\n0.826964 0.653927 0.155469 O\n0.173038 0.826964 0.655469 O\n0.653927 0.826964 0.844530 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Ba",
"Al",
"In",
"Ir",
"Cl",
"O"
],
"chemical_system": "Al-Ba-Cl-In-Ir-O",
"density": 6.06045542354921,
"density_atomic": 0.06230374101102653,
"volume": 770.4192271777862,
"volume_molar": 9.665777146406345,
"formula_full": "Ba10 Al4 In4 Ir2 Cl2 O26",
"formula_reduced": "Ba5Al2In2IrClO13",
"formula_anonymous": "ABC2D2E5F13",
"energy_above_hull": 1.873534002395833,
"spacegroup": 194
},
{
"id": "jvasp-96072",
"created_at": "2022-09-04T14:36:01.445126Z",
"updated_at": "2022-09-04T14:36:01.445151Z",
"structure_string": "Ba2 Al4 Cl16\n1.0\n7.199588 0.000000 0.000000\n0.000000 7.225849 -1.566906\n0.000000 -0.042752 12.543314\nBa Al Cl\n2 4 16\ndirect\n0.136396 0.500000 0.250000 Ba\n0.863604 0.500000 0.750000 Ba\n0.283094 0.710924 0.946239 Al\n0.283094 0.289077 0.553760 Al\n0.716906 0.289077 0.053761 Al\n0.716906 0.710924 0.446239 Al\n0.794209 0.579155 0.101766 Cl\n0.205791 0.420846 0.898233 Cl\n0.205791 0.579155 0.601766 Cl\n0.442860 0.242613 0.111897 Cl\n0.442860 0.757388 0.388102 Cl\n0.557140 0.757388 0.888102 Cl\n0.557140 0.242613 0.611897 Cl\n0.919050 0.862682 0.373080 Cl\n0.080950 0.862682 0.873080 Cl\n0.714305 0.206958 0.877784 Cl\n0.714305 0.793042 0.622215 Cl\n0.285695 0.793042 0.122215 Cl\n0.285695 0.206958 0.377784 Cl\n0.794209 0.420846 0.398233 Cl\n0.919050 0.137318 0.126919 Cl\n0.080950 0.137318 0.626919 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Cl"
],
"chemical_system": "Al-Ba-Cl",
"density": 2.4188359666470327,
"density_atomic": 0.0337392141188067,
"volume": 652.060238348495,
"volume_molar": 17.84908426969903,
"formula_full": "Ba2 Al4 Cl16",
"formula_reduced": "Ba(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2575485554545454,
"spacegroup": 13
},
{
"id": "jvasp-96084",
"created_at": "2022-09-04T14:36:15.559390Z",
"updated_at": "2022-09-04T14:36:15.559417Z",
"structure_string": "Ba4 Ca2 Mg2 Al4 F28\n1.0\n5.240271 0.000000 0.000000\n-2.620136 6.824902 -0.220117\n0.000000 -0.003362 14.682696\nBa Ca Mg Al F\n4 2 2 4 28\ndirect\n0.844949 0.615255 0.382048 Ba\n0.229695 0.384745 0.117952 Ba\n0.155050 0.384745 0.617952 Ba\n0.770304 0.615255 0.882048 Ba\n0.560913 0.000000 0.250000 Ca\n0.439087 0.000000 0.750000 Ca\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.878627 0.767365 0.621877 Al\n0.111263 0.232636 0.878123 Al\n0.121372 0.232636 0.378123 Al\n0.888736 0.767364 0.121877 Al\n0.068458 0.014351 0.659410 F\n0.039312 0.680498 0.716108 F\n0.358814 0.319502 0.783892 F\n0.960687 0.319502 0.283892 F\n0.641185 0.680498 0.216108 F\n0.512499 0.131768 0.119246 F\n0.590121 0.745007 0.694750 F\n0.154884 0.745006 0.194749 F\n0.409878 0.254993 0.305251 F\n0.380729 0.868231 0.380754 F\n0.054106 0.985649 0.840590 F\n0.845115 0.254994 0.805251 F\n0.931541 0.985649 0.340590 F\n0.265478 0.156462 0.476676 F\n0.596573 0.773594 0.051052 F\n0.822979 0.226406 0.448948 F\n0.403426 0.226406 0.948948 F\n0.177020 0.773594 0.551052 F\n0.619270 0.131769 0.619246 F\n0.109016 0.843538 0.023324 F\n0.734521 0.843538 0.523325 F\n0.890983 0.156462 0.976676 F\n0.716527 0.517276 0.578133 F\n0.199252 0.482724 0.921867 F\n0.283472 0.482724 0.421867 F\n0.800747 0.517276 0.078133 F\n0.945893 0.014351 0.159410 F\n0.487500 0.868232 0.880754 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Mg",
"Al",
"F"
],
"chemical_system": "Al-Ba-Ca-F-Mg",
"density": 4.167705848558649,
"density_atomic": 0.07617408126877145,
"volume": 525.1129955721372,
"volume_molar": 7.905760935601667,
"formula_full": "Ba4 Ca2 Mg2 Al4 F28",
"formula_reduced": "Ba2CaMgAl2F14",
"formula_anonymous": "ABC2D2E14",
"energy_above_hull": 0.0,
"spacegroup": 15
}
]
}