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=structure_string&page=310",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=308",
"results": [
{
"id": "jvasp-9190",
"created_at": "2022-09-04T14:37:09.967354Z",
"updated_at": "2022-09-04T14:37:09.967388Z",
"structure_string": "Ba2 Al1 Cu3 O7\n1.0\n3.691548 0.000000 0.000000\n0.000000 3.847180 0.000000\n0.000000 0.000000 11.683637\nBa Al Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.814713 Ba\n0.500000 0.500000 0.185280 Ba\n0.500000 0.500000 0.499994 Al\n0.000000 0.000000 0.636252 Cu\n0.000000 0.000000 0.363756 Cu\n0.000000 0.000000 -0.000000 Cu\n0.000000 0.500000 -0.000004 O\n0.500000 0.000000 0.604401 O\n0.500000 0.000000 0.395723 O\n0.000000 0.500000 0.605099 O\n0.000000 0.500000 0.394793 O\n0.000000 0.000000 0.837647 O\n0.000000 0.000000 0.162350 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-O",
"density": 6.047147670007674,
"density_atomic": 0.07834553864825242,
"volume": 165.93159258711637,
"volume_molar": 7.686641593004517,
"formula_full": "Ba2 Al1 Cu3 O7",
"formula_reduced": "Ba2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.4570108146153844,
"spacegroup": 47
},
{
"id": "jvasp-9355",
"created_at": "2022-09-04T14:37:17.867995Z",
"updated_at": "2022-09-04T14:37:17.868017Z",
"structure_string": "Ba2 Al1 Cu3 O8\n1.0\n3.812190 0.000000 0.000000\n-0.000000 3.812190 0.000000\n-0.000000 0.000000 11.531375\nBa Al Cu O\n2 1 3 8\ndirect\n0.500000 0.500000 0.826192 Ba\n0.500000 0.500000 0.173812 Ba\n0.500000 0.500000 0.499999 Al\n0.000000 0.000000 0.643451 Cu\n0.000000 0.000000 0.000003 Cu\n0.000000 0.000000 0.356547 Cu\n0.500000 0.000000 0.604061 O\n0.000000 0.500000 0.604061 O\n0.000000 0.500000 0.000002 O\n0.000000 0.000000 0.818986 O\n0.500000 0.000000 0.395937 O\n0.000000 0.500000 0.395937 O\n0.000000 0.000000 0.181011 O\n0.500000 0.000000 0.000002 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-O",
"density": 6.146088642840569,
"density_atomic": 0.08354065277856268,
"volume": 167.58308122285266,
"volume_molar": 7.208635029418083,
"formula_full": "Ba2 Al1 Cu3 O8",
"formula_reduced": "Ba2AlCu3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.583608149285714,
"spacegroup": 123
},
{
"id": "jvasp-9198",
"created_at": "2022-09-04T14:38:30.696285Z",
"updated_at": "2022-09-04T14:38:30.696312Z",
"structure_string": "Ba2 Al1 Fe3 O8\n1.0\n3.789113 0.000000 0.000000\n0.000000 3.789113 -0.000000\n0.000000 -0.000000 12.024403\nBa Al Fe O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171946 Ba\n0.500000 0.500000 0.828018 Ba\n0.500000 0.500000 0.499997 Al\n0.000000 0.000000 0.356577 Fe\n0.000000 0.000000 0.999964 Fe\n0.000000 0.000000 0.643434 Fe\n0.000000 0.500000 0.398123 O\n0.500000 0.000000 0.398123 O\n0.500000 0.000000 -0.000015 O\n0.000000 0.000000 0.200389 O\n0.000000 0.500000 0.601910 O\n0.500000 0.000000 0.601910 O\n0.000000 0.000000 0.799633 O\n0.000000 0.500000 -0.000015 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Ba-Fe-O",
"density": 5.743879796931613,
"density_atomic": 0.08109412612010583,
"volume": 172.63889100013313,
"volume_molar": 7.426112158950707,
"formula_full": "Ba2 Al1 Fe3 O8",
"formula_reduced": "Ba2AlFe3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.574471374285714,
"spacegroup": 123
},
{
"id": "jvasp-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
"density_atomic": 0.03736307085640747,
"volume": 160.58637211751153,
"volume_molar": 16.11789561715656,
"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-108160",
"created_at": "2022-09-04T14:38:06.651532Z",
"updated_at": "2022-09-04T14:38:06.651553Z",
"structure_string": "Ba2 Al1 In3\n1.0\n4.995004 -0.000968 4.224625\n2.271702 4.448532 4.224625\n0.002943 0.001801 8.527641\nBa Al In\n2 1 3\ndirect\n0.747072 0.747073 0.803463 Ba\n0.250335 0.250335 0.197055 Ba\n0.571136 0.571136 0.591055 Al\n0.439861 0.439861 0.408821 In\n0.066960 0.066960 0.763346 In\n0.924631 0.924631 0.236268 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"In"
],
"chemical_system": "Al-Ba-In",
"density": 5.663588104139007,
"density_atomic": 0.031673868165838705,
"volume": 189.43060470495976,
"volume_molar": 19.01296276308643,
"formula_full": "Ba2 Al1 In3",
"formula_reduced": "Ba2AlIn3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"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-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-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-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-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-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-58253",
"created_at": "2022-09-04T14:37:44.899274Z",
"updated_at": "2022-09-04T14:37:44.899303Z",
"structure_string": "Ba2 Al2 B2 O6 F4\n1.0\n2.459984 -4.260816 0.000000\n2.459984 4.260817 -0.000000\n-0.000000 0.000000 9.419882\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.333332 0.666666 0.250000 B\n0.666666 0.333332 0.750000 B\n0.327111 0.383050 0.250000 O\n0.616948 0.944059 0.250000 O\n0.944059 0.327110 0.750000 O\n0.383051 0.055939 0.750000 O\n0.055939 0.672889 0.250000 O\n0.672888 0.616948 0.750000 O\n0.666666 0.333332 0.052240 F\n0.333332 0.666666 0.552240 F\n0.666666 0.333332 0.447760 F\n0.333332 0.666666 0.947760 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Al",
"B",
"O",
"F"
],
"chemical_system": "Al-B-Ba-F-O",
"density": 4.391466618408819,
"density_atomic": 0.08102506929451453,
"volume": 197.46974781153583,
"volume_molar": 7.432441357267317,
"formula_full": "Ba2 Al2 B2 O6 F4",
"formula_reduced": "BaAlBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4456865522916669,
"spacegroup": 176
}
]
}