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_full&page=180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=178",
"results": [
{
"id": "jvasp-35117",
"created_at": "2022-09-04T14:37:40.190837Z",
"updated_at": "2022-09-04T14:37:40.190858Z",
"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 3.207145827644211,
"density_atomic": 0.0668734290219319,
"volume": 194.39708999723197,
"volume_molar": 9.005281840751683,
"formula_full": "Ba1 Al2 Si2 O8",
"formula_reduced": "BaAl2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4640059053846155,
"spacegroup": 147
},
{
"id": "jvasp-88522",
"created_at": "2022-09-04T14:35:55.559712Z",
"updated_at": "2022-09-04T14:35:55.559743Z",
"structure_string": "Ba1 Al3 P2 H2 O14\n1.0\n5.344648 3.229111 -3.551498\n-5.344648 3.229111 3.551498\n0.224289 0.000000 7.447078\nBa Al P H O\n1 3 2 2 14\ndirect\n0.000579 -0.000579 0.001257 Ba\n0.000582 0.999417 0.501255 Al\n0.500582 0.999416 0.501249 Al\n0.000583 0.499418 0.501249 Al\n0.276811 0.723188 0.882192 P\n0.724352 0.275647 0.120307 P\n0.326574 0.673425 0.348422 H\n0.674578 0.325422 0.654051 H\n0.024913 0.214846 0.593314 O\n0.785153 0.975087 0.593314 O\n0.688299 0.311701 0.534145 O\n0.312864 0.687135 0.468342 O\n0.882066 0.500345 0.209632 O\n0.499654 0.117933 0.209632 O\n0.134376 0.865623 0.782811 O\n0.119097 0.498491 0.792864 O\n0.866790 0.133210 0.219698 O\n0.976258 0.783986 0.409200 O\n0.655143 0.344857 0.881554 O\n0.346022 0.653978 0.120947 O\n0.501508 0.880902 0.792864 O\n0.216014 0.023741 0.409200 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Ba",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O-P",
"density": 3.206050384844031,
"density_atomic": 0.08390714572470069,
"volume": 262.1945939167326,
"volume_molar": 7.177148868534561,
"formula_full": "Ba1 Al3 P2 H2 O14",
"formula_reduced": "BaAl3P2(HO7)2",
"formula_anonymous": "AB2C2D3E14",
"energy_above_hull": 2.7667156531818184,
"spacegroup": 12
},
{
"id": "jvasp-20233",
"created_at": "2022-09-04T14:37:49.032145Z",
"updated_at": "2022-09-04T14:37:49.032176Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.387099534743015,
"density_atomic": 0.04158476620474798,
"volume": 120.2363378786802,
"volume_molar": 14.48160302344664,
"formula_full": "Ba1 Al4",
"formula_reduced": "BaAl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.3180574340000004,
"spacegroup": 139
},
{
"id": "jvasp-20499",
"created_at": "2022-09-04T14:38:15.880518Z",
"updated_at": "2022-09-04T14:38:15.880529Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.387099534743015,
"density_atomic": 0.04158476620474798,
"volume": 120.2363378786802,
"volume_molar": 14.48160302344664,
"formula_full": "Ba1 Al4",
"formula_reduced": "BaAl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.3180574340000004,
"spacegroup": 139
},
{
"id": "jvasp-22279",
"created_at": "2022-09-04T14:37:40.795711Z",
"updated_at": "2022-09-04T14:37:40.795739Z",
"structure_string": "Ba1 Al9 Fe2\n1.0\n4.006231 -6.938996 -0.000000\n4.006231 6.938996 -0.000000\n-0.000000 0.000000 3.961777\nBa Al Fe\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 -0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.216133 0.432265 0.500000 Al\n0.783867 0.216133 0.500000 Al\n0.432265 0.216133 0.500000 Al\n0.567735 0.783867 0.500000 Al\n0.216133 0.783867 0.500000 Al\n0.783867 0.567735 0.500000 Al\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666667 0.000000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Fe"
],
"chemical_system": "Al-Ba-Fe",
"density": 3.7079158983438756,
"density_atomic": 0.05447893382757719,
"volume": 220.26862783290395,
"volume_molar": 11.05407234851501,
"formula_full": "Ba1 Al9 Fe2",
"formula_reduced": "BaAl9Fe2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 2.1868751808333338,
"spacegroup": 191
},
{
"id": "jvasp-21798",
"created_at": "2022-09-04T14:38:18.997916Z",
"updated_at": "2022-09-04T14:38:18.997931Z",
"structure_string": "Ba1 Al9 Ni2\n1.0\n3.990508 -6.911762 -0.000000\n3.990508 6.911762 0.000000\n0.000000 -0.000000 3.986589\nBa Al Ni\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.574133 0.787066 0.500000 Al\n0.787066 0.212934 0.500000 Al\n0.787066 0.574133 0.500000 Al\n0.212934 0.425868 0.500000 Al\n0.212934 0.787066 0.500000 Al\n0.425868 0.212934 0.500000 Al\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ni"
],
"chemical_system": "Al-Ba-Ni",
"density": 3.756949468336715,
"density_atomic": 0.05456734522431076,
"volume": 219.91174301537723,
"volume_molar": 11.03616226012957,
"formula_full": "Ba1 Al9 Ni2",
"formula_reduced": "BaAl9Ni2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.6968613308333336,
"spacegroup": 191
},
{
"id": "jvasp-116380",
"created_at": "2022-09-04T14:38:42.637632Z",
"updated_at": "2022-09-04T14:38:42.637659Z",
"structure_string": "Ba1 As1 Au1\n1.0\n3.221598 -0.000000 0.000000\n0.000000 3.221598 -0.000000\n0.000000 -0.000000 8.710083\nBa As Au\n1 1 1\ndirect\n0.000000 0.000000 0.003620 Ba\n0.000000 0.000000 0.358579 As\n0.000000 0.000000 0.647509 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 7.516849135842044,
"density_atomic": 0.033186103800102756,
"volume": 90.39928332866575,
"volume_molar": 18.146573626944882,
"formula_full": "Ba1 As1 Au1",
"formula_reduced": "BaAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.886171763333333,
"spacegroup": 99
},
{
"id": "jvasp-16175",
"created_at": "2022-09-04T14:36:13.078274Z",
"updated_at": "2022-09-04T14:36:13.078298Z",
"structure_string": "Ba1 As1 Pd1\n1.0\n2.200103 -3.810689 0.000000\n2.200103 3.810689 -0.000000\n0.000000 -0.000000 4.755567\nBa As Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.500000 As\n0.333332 0.666666 0.500000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 6.636048476590345,
"density_atomic": 0.03762204813717548,
"volume": 79.74047529420946,
"volume_molar": 16.00694554970106,
"formula_full": "Ba1 As1 Pd1",
"formula_reduced": "BaAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7804211399999997,
"spacegroup": 187
},
{
"id": "jvasp-16034",
"created_at": "2022-09-04T14:36:55.162693Z",
"updated_at": "2022-09-04T14:36:55.162712Z",
"structure_string": "Ba1 As2 Pd2\n1.0\n4.397972 0.000000 -0.000000\n0.000000 4.397972 -0.000000\n-0.000000 0.000000 5.801389\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.736072 As\n0.500000 0.500000 0.263928 As\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 7.399307124323845,
"density_atomic": 0.04455876004584294,
"volume": 112.21138099121026,
"volume_molar": 13.515054624061131,
"formula_full": "Ba1 As2 Pd2",
"formula_reduced": "Ba(AsPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.493766174,
"spacegroup": 123
},
{
"id": "jvasp-15711",
"created_at": "2022-09-04T14:36:38.220613Z",
"updated_at": "2022-09-04T14:36:38.220632Z",
"structure_string": "Ba1 As2 Pd2\n1.0\n4.209512 -0.000000 -1.678825\n-0.669544 4.155925 -1.678825\n0.040161 0.047150 6.217611\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.631643 0.631642 0.263285 As\n0.368357 0.368357 0.736713 As\n0.750000 0.250000 0.499999 Pd\n0.250000 0.749999 0.499999 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pd"
],
"chemical_system": "As-Ba-Pd",
"density": 7.586689561452067,
"density_atomic": 0.0456871804387949,
"volume": 109.43988996428178,
"volume_molar": 13.181248442476326,
"formula_full": "Ba1 As2 Pd2",
"formula_reduced": "Ba(AsPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4927561740000002,
"spacegroup": 139
},
{
"id": "jvasp-57004",
"created_at": "2022-09-04T14:37:09.456690Z",
"updated_at": "2022-09-04T14:37:09.456708Z",
"structure_string": "Ba1 As2 Rh2\n1.0\n3.927309 0.000000 -1.188065\n-0.359406 3.910829 -1.188065\n-0.001149 -0.001259 7.081365\nBa As Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.357001 0.357001 0.714005 As\n0.642998 0.642999 0.285997 As\n0.249999 0.750000 0.500001 Rh\n0.750000 0.250000 0.500001 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Rh"
],
"chemical_system": "As-Ba-Rh",
"density": 7.5274087271619585,
"density_atomic": 0.04597651485359605,
"volume": 108.75117472304288,
"volume_molar": 13.098297639950365,
"formula_full": "Ba1 As2 Rh2",
"formula_reduced": "Ba(AsRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.006967094,
"spacegroup": 139
},
{
"id": "jvasp-15320",
"created_at": "2022-09-04T14:36:42.373267Z",
"updated_at": "2022-09-04T14:36:42.373281Z",
"structure_string": "Ba1 As2 Ru2\n1.0\n3.995822 -0.000000 -1.284075\n-0.412644 3.974458 -1.284075\n-0.002213 -0.002455 6.852302\nBa As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.648442 0.648441 0.296881 As\n0.351559 0.351558 0.703118 As\n0.250001 0.750000 0.499999 Ru\n0.750000 0.250000 0.499999 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"Ru"
],
"chemical_system": "As-Ba-Ru",
"density": 7.468155834754864,
"density_atomic": 0.04595682418847108,
"volume": 108.797770261382,
"volume_molar": 13.10390973776369,
"formula_full": "Ba1 As2 Ru2",
"formula_reduced": "Ba(AsRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7177120940000004,
"spacegroup": 139
}
]
}