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=4485",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4483",
"results": [
{
"id": "jvasp-114450",
"created_at": "2022-09-04T14:38:40.519634Z",
"updated_at": "2022-09-04T14:38:40.519655Z",
"structure_string": "Ba2 Au1 O3\n1.0\n-1.885846 2.226210 6.704966\n1.885846 -2.226210 6.704966\n1.885846 2.226210 -6.704966\nBa Au O\n2 1 3\ndirect\n0.145865 0.645866 0.500001 Ba\n0.854135 0.354135 0.500000 Ba\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 O\n0.342892 0.842893 0.500001 O\n0.657108 0.157108 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 7.663108977322372,
"density_atomic": 0.05328712936072121,
"volume": 112.59754601122678,
"volume_molar": 11.301304521836403,
"formula_full": "Ba2 Au1 O3",
"formula_reduced": "Ba2AuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9826700016666664,
"spacegroup": 71
},
{
"id": "jvasp-113740",
"created_at": "2022-09-04T14:38:47.097372Z",
"updated_at": "2022-09-04T14:38:47.097399Z",
"structure_string": "Ba2 Au1 O1\n1.0\n0.000000 3.766464 3.766464\n3.766464 -0.000000 3.766464\n3.766464 3.766464 0.000000\nBa Au O\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Au",
"O"
],
"chemical_system": "Au-Ba-O",
"density": 7.577032009854661,
"density_atomic": 0.037430750357263745,
"volume": 106.86400784973222,
"volume_molar": 16.088752436220812,
"formula_full": "Ba2 Au1 O1",
"formula_reduced": "Ba2AuO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2831807525,
"spacegroup": 225
},
{
"id": "jvasp-81432",
"created_at": "2022-09-04T14:37:17.568530Z",
"updated_at": "2022-09-04T14:37:17.568567Z",
"structure_string": "Ba2 As1 Br1\n1.0\n-13.288868 4.182121 -0.857632\n-9.519732 1.272670 2.272706\n-7.871623 5.926300 -0.573187\nBa As Br\n2 1 1\ndirect\n0.749995 0.000004 0.000004 Ba\n0.250005 0.999997 0.999997 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 -0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"As",
"Br"
],
"chemical_system": "As-Ba-Br",
"density": 5.450954089058799,
"density_atomic": 0.030573198645014815,
"volume": 130.8335462849004,
"volume_molar": 19.69745079644113,
"formula_full": "Ba2 As1 Br1",
"formula_reduced": "Ba2AsBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.03629694875,
"spacegroup": 225
},
{
"id": "jvasp-41780",
"created_at": "2022-09-04T14:37:32.651677Z",
"updated_at": "2022-09-04T14:37:32.651711Z",
"structure_string": "Ba2 As1 Au1\n1.0\n0.000000 4.000850 4.000850\n4.000850 0.000000 4.000850\n4.000850 4.000850 0.000000\nBa As Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.249999 0.249999 0.249999 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"As",
"Au"
],
"chemical_system": "As-Au-Ba",
"density": 7.085752366406653,
"density_atomic": 0.031230086588799173,
"volume": 128.08161734122825,
"volume_molar": 19.283138209933337,
"formula_full": "Ba2 As1 Au1",
"formula_reduced": "Ba2AsAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.294387815,
"spacegroup": 225
},
{
"id": "jvasp-15051",
"created_at": "2022-09-04T14:36:46.632367Z",
"updated_at": "2022-09-04T14:36:46.632381Z",
"structure_string": "Ba4 As2\n1.0\n4.818316 0.000000 -1.365474\n-0.386965 4.802751 -1.365474\n0.145645 0.157851 9.697809\nBa As\n4 2\ndirect\n0.315964 0.315965 0.631930 Ba\n0.684035 0.684035 0.368070 Ba\n0.500000 -0.000000 0.000000 Ba\n-0.000001 0.500000 0.000000 Ba\n0.133015 0.133015 0.266030 As\n0.866984 0.866985 0.733970 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"As"
],
"chemical_system": "As-Ba",
"density": 5.125781866246464,
"density_atomic": 0.026490561624660656,
"volume": 226.49576422775672,
"volume_molar": 22.733156228722063,
"formula_full": "Ba4 As2",
"formula_reduced": "Ba2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2327178966666665,
"spacegroup": 139
},
{
"id": "jvasp-9193",
"created_at": "2022-09-04T14:37:11.226112Z",
"updated_at": "2022-09-04T14:37:11.226138Z",
"structure_string": "Ba2 Al1 V3 O8\n1.0\n0.000000 3.796388 0.318930\n4.083258 0.000000 0.000000\n0.000000 -0.950584 -11.408165\nBa Al V O\n2 1 3 8\ndirect\n0.439259 0.500000 0.842592 Ba\n0.614201 0.500000 0.192712 Ba\n0.286163 0.500000 0.536633 Al\n-0.166109 0.000000 0.632166 V\n0.026005 0.000000 0.016200 V\n0.197662 0.000000 0.359727 V\n-0.185376 0.500000 0.593719 O\n0.301377 0.000000 0.567086 O\n0.520667 0.000000 0.005513 O\n0.918459 0.000000 0.800961 O\n0.208993 0.500000 0.382381 O\n0.704820 0.000000 0.374044 O\n0.112030 0.000000 0.188359 O\n0.021855 0.500000 0.007905 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"V",
"O"
],
"chemical_system": "Al-Ba-O-V",
"density": 5.507686440438296,
"density_atomic": 0.0797233592343124,
"volume": 175.60725155663656,
"volume_molar": 7.553797052505676,
"formula_full": "Ba2 Al1 V3 O8",
"formula_reduced": "Ba2AlV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.77321681,
"spacegroup": 38
},
{
"id": "jvasp-9213",
"created_at": "2022-09-04T14:38:07.660200Z",
"updated_at": "2022-09-04T14:38:07.660223Z",
"structure_string": "Ba2 Al1 V3 O7\n1.0\n3.859472 -0.000000 0.000000\n0.000000 3.923804 0.000000\n0.000000 0.000000 11.233704\nBa Al V O\n2 1 3 7\ndirect\n0.500000 0.500000 0.820303 Ba\n0.500000 0.500000 0.179696 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.646238 V\n0.000000 0.000000 0.353762 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.612111 O\n0.500000 0.000000 0.387889 O\n0.000000 0.500000 0.611933 O\n0.000000 0.500000 0.388066 O\n0.000000 0.000000 0.822662 O\n0.000000 0.000000 0.177338 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"V",
"O"
],
"chemical_system": "Al-Ba-O-V",
"density": 5.5291322589831955,
"density_atomic": 0.07641615397498791,
"volume": 170.12109774924141,
"volume_molar": 7.880716899166546,
"formula_full": "Ba2 Al1 V3 O7",
"formula_reduced": "Ba2AlV3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.7651262953846154,
"spacegroup": 47
},
{
"id": "jvasp-58008",
"created_at": "2022-09-04T14:37:29.305369Z",
"updated_at": "2022-09-04T14:37:29.305395Z",
"structure_string": "Ba2 Al1 Tl1 Sn2 O7\n1.0\n4.135701 0.000000 0.000000\n0.000000 4.135701 0.000000\n-0.000000 -0.000000 13.021754\nBa Al Tl Sn O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.190065 Ba\n0.500000 0.500000 0.809935 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.369975 Sn\n0.000000 0.000000 0.630024 Sn\n0.000000 0.000000 0.212814 O\n0.000000 0.500000 0.401120 O\n0.500000 0.000000 0.401120 O\n0.500000 0.000000 0.598880 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.598880 O\n0.000000 0.000000 0.787185 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Tl",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn-Tl",
"density": 6.377760066802114,
"density_atomic": 0.05836810584558075,
"volume": 222.72437680936454,
"volume_molar": 10.317519598686715,
"formula_full": "Ba2 Al1 Tl1 Sn2 O7",
"formula_reduced": "Ba2AlTlSn2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.5911980953846154,
"spacegroup": 123
},
{
"id": "jvasp-9354",
"created_at": "2022-09-04T14:37:18.171318Z",
"updated_at": "2022-09-04T14:37:18.171346Z",
"structure_string": "Ba2 Al1 Sn3 O8\n1.0\n4.255709 -0.000000 -0.000000\n0.000000 4.255709 -0.000000\n-0.000000 0.000000 11.221257\nBa Al Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.820318 Ba\n0.500000 0.500000 0.179682 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.626018 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.373982 Sn\n0.500000 0.000000 0.627474 O\n0.000000 0.500000 0.627474 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.813495 O\n0.500000 0.000000 0.372526 O\n0.000000 0.500000 0.372526 O\n0.000000 0.000000 0.186505 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn",
"density": 6.420281432967362,
"density_atomic": 0.06888785767859883,
"volume": 203.22884862116035,
"volume_molar": 8.741948092066853,
"formula_full": "Ba2 Al1 Sn3 O8",
"formula_reduced": "Ba2AlSn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.7801319885714284,
"spacegroup": 123
},
{
"id": "jvasp-9192",
"created_at": "2022-09-04T14:37:10.949110Z",
"updated_at": "2022-09-04T14:37:10.949145Z",
"structure_string": "Ba2 Al1 Sn3 O7\n1.0\n4.140140 0.000000 0.000000\n-0.000000 4.373308 0.000000\n0.000000 0.000000 11.535248\nBa Al Sn O\n2 1 3 7\ndirect\n0.500000 0.500000 0.811109 Ba\n0.500000 0.500000 0.188891 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.622088 Sn\n0.000000 0.000000 0.377912 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.628083 O\n0.500000 0.000000 0.371917 O\n0.000000 0.500000 0.619462 O\n0.000000 0.500000 0.380538 O\n0.000000 0.000000 0.801666 O\n0.000000 0.000000 0.198335 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn",
"density": 6.120024553245941,
"density_atomic": 0.062243115784811905,
"volume": 208.85843897892016,
"volume_molar": 9.6751916803456,
"formula_full": "Ba2 Al1 Sn3 O7",
"formula_reduced": "Ba2AlSn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.690199564615385,
"spacegroup": 47
},
{
"id": "jvasp-9203",
"created_at": "2022-09-04T14:37:13.047054Z",
"updated_at": "2022-09-04T14:37:13.047081Z",
"structure_string": "Ba2 Al1 Ni3 O8\n1.0\n3.700293 0.000000 0.000000\n-0.000000 3.700293 -0.000000\n0.000000 -0.000000 12.411817\nBa Al Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.827157 Ba\n0.500000 0.500000 0.172911 Ba\n0.500000 0.500000 0.499995 Al\n0.000000 0.000000 0.633073 Ni\n0.000000 0.000000 0.000080 Ni\n0.000000 0.000000 0.366888 Ni\n0.500000 0.000000 0.595322 O\n0.000000 0.500000 0.595322 O\n0.000000 0.500000 0.000028 O\n0.000000 0.000000 0.784434 O\n0.500000 0.000000 0.404624 O\n0.000000 0.500000 0.404624 O\n0.000000 0.000000 0.215512 O\n0.500000 0.000000 0.000028 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ba-Ni-O",
"density": 5.918435543896762,
"density_atomic": 0.08237974507550133,
"volume": 169.94468709716145,
"volume_molar": 7.310220193666158,
"formula_full": "Ba2 Al1 Ni3 O8",
"formula_reduced": "Ba2AlNi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.9585221385714284,
"spacegroup": 123
},
{
"id": "jvasp-25845",
"created_at": "2022-09-04T14:38:29.774602Z",
"updated_at": "2022-09-04T14:38:29.774628Z",
"structure_string": "Ba8 Al4 In4 O20\n1.0\n2.952951 -5.114660 -0.000000\n2.952951 5.114660 0.000000\n-0.000000 -0.000000 19.942388\nBa Al In O\n8 4 4 20\ndirect\n0.333333 0.666667 0.893665 Ba\n0.666667 0.333333 0.106335 Ba\n0.666667 0.333333 0.393665 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.250000 Ba\n0.333333 0.666667 0.606335 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.836841 Al\n0.000000 0.000000 0.163159 Al\n0.000000 0.000000 0.663159 Al\n0.000000 0.000000 0.336841 Al\n0.333333 0.666667 0.433377 In\n0.666667 0.333333 0.933377 In\n0.666667 0.333333 0.566624 In\n0.333333 0.666667 0.066624 In\n0.836554 0.163446 0.865943 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.326893 0.163446 0.634057 O\n0.163446 0.836554 0.134057 O\n0.500000 0.500000 0.500000 O\n0.163446 0.326893 0.365943 O\n0.500000 0.500000 0.000000 O\n0.673107 0.836554 0.365943 O\n0.500000 -0.000000 0.500000 O\n0.163446 0.326893 0.134057 O\n0.836554 0.673107 0.865943 O\n0.836554 0.163446 0.634057 O\n0.673107 0.836554 0.134057 O\n0.163446 0.836554 0.365943 O\n0.000000 0.000000 0.250000 O\n-0.000000 0.500000 0.500000 O\n0.836554 0.673107 0.634057 O\n0.000000 0.000000 0.750000 O\n0.326893 0.163446 0.865943 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Al",
"In",
"O"
],
"chemical_system": "Al-Ba-In-O",
"density": 5.474001450007898,
"density_atomic": 0.059761616174436274,
"volume": 602.3933471765681,
"volume_molar": 10.076937582180118,
"formula_full": "Ba8 Al4 In4 O20",
"formula_reduced": "Ba2AlInO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.374778023333333,
"spacegroup": 194
}
]
}