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=324",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=322",
"results": [
{
"id": "jvasp-114534",
"created_at": "2022-09-04T14:38:41.604006Z",
"updated_at": "2022-09-04T14:38:41.604032Z",
"structure_string": "Ba1 Bi1 F2\n1.0\n3.687322 0.000000 0.000000\n0.000000 3.687322 0.000000\n0.000000 0.000000 7.139328\nBa Bi F\n1 1 2\ndirect\n0.499999 0.499999 0.485687 Ba\n0.000000 0.000000 0.935077 Bi\n0.000000 0.000000 0.442715 F\n0.499999 0.499999 0.146521 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"F"
],
"chemical_system": "Ba-Bi-F",
"density": 6.5742281450846605,
"density_atomic": 0.04120790418882629,
"volume": 97.06875607337047,
"volume_molar": 14.614042811798546,
"formula_full": "Ba1 Bi1 F2",
"formula_reduced": "BaBiF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-26386",
"created_at": "2022-09-04T14:37:41.124770Z",
"updated_at": "2022-09-04T14:37:41.124797Z",
"structure_string": "Ba2 Bi2 I2 O4\n1.0\n0.000000 6.143065 0.000107\n5.928968 0.000000 0.000000\n0.000000 -3.071455 -7.041426\nBa Bi I O\n2 2 2 4\ndirect\n0.397253 0.250000 0.794506 Ba\n0.602747 0.750000 0.205494 Ba\n0.929733 0.750000 0.859464 Bi\n0.070267 0.250000 0.140537 Bi\n0.747224 0.250000 0.494449 I\n0.252776 0.750000 0.505551 I\n0.224018 0.500001 0.000001 O\n0.775982 0.499999 0.999999 O\n0.775982 0.000001 0.999999 O\n0.224018 -0.000001 0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"I",
"O"
],
"chemical_system": "Ba-Bi-I-O",
"density": 6.542294207430068,
"density_atomic": 0.038992264973433576,
"volume": 256.46112137402775,
"volume_molar": 15.444449723818396,
"formula_full": "Ba2 Bi2 I2 O4",
"formula_reduced": "BaBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7025447090000001,
"spacegroup": 63
},
{
"id": "jvasp-66289",
"created_at": "2022-09-04T14:35:45.947216Z",
"updated_at": "2022-09-04T14:35:45.947247Z",
"structure_string": "Ba1 Bi1 Mo1\n1.0\n-0.000000 3.929077 3.929077\n3.929077 0.000000 3.929077\n3.929077 3.929077 0.000000\nBa Bi Mo\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Mo"
],
"chemical_system": "Ba-Bi-Mo",
"density": 6.053586747870644,
"density_atomic": 0.024729745055242315,
"volume": 121.31140023071315,
"volume_molar": 24.351810932735034,
"formula_full": "Ba1 Bi1 Mo1",
"formula_reduced": "BaBiMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3806420566666664,
"spacegroup": 216
},
{
"id": "jvasp-9316",
"created_at": "2022-09-04T14:37:18.181490Z",
"updated_at": "2022-09-04T14:37:18.181515Z",
"structure_string": "Ba1 Bi4 O8\n1.0\n3.217721 -5.573256 0.000000\n3.217721 5.573256 0.000000\n0.000000 0.000000 7.630499\nBa Bi O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.272534 Bi\n0.666667 0.333333 0.272534 Bi\n0.333333 0.666667 0.727466 Bi\n0.666667 0.333333 0.727466 Bi\n0.681102 0.681102 0.263838 O\n-0.000000 0.318898 0.263838 O\n0.318898 -0.000000 0.263838 O\n0.318898 0.318898 0.736162 O\n0.681102 -0.000000 0.736162 O\n-0.000000 0.681102 0.736162 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 6.681781369566265,
"density_atomic": 0.04750103140982316,
"volume": 273.6782679062336,
"volume_molar": 12.677915786802533,
"formula_full": "Ba1 Bi4 O8",
"formula_reduced": "Ba(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.046443166923077,
"spacegroup": 162
},
{
"id": "jvasp-34777",
"created_at": "2022-09-04T14:37:08.856398Z",
"updated_at": "2022-09-04T14:37:08.856417Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n5.392051 -0.026172 3.057120\n1.768812 5.093742 3.057120\n-0.036983 -0.026171 6.198292\nBa Bi O\n2 2 6\ndirect\n0.248766 0.248766 0.248766 Ba\n0.751234 0.751234 0.751234 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.239837 0.693209 0.819931 O\n0.693208 0.819932 0.239838 O\n0.819931 0.239838 0.693208 O\n0.760162 0.306792 0.180069 O\n0.180069 0.760163 0.306791 O\n0.306792 0.180070 0.760162 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 7.6403066202579755,
"density_atomic": 0.05834434247529557,
"volume": 171.39622413662894,
"volume_molar": 10.321721874832889,
"formula_full": "Ba2 Bi2 O6",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2768121539999997,
"spacegroup": 148
},
{
"id": "jvasp-109204",
"created_at": "2022-09-04T14:38:18.230329Z",
"updated_at": "2022-09-04T14:38:18.230359Z",
"structure_string": "Ba1 Bi1 O3\n1.0\n4.413073 0.003002 -0.002671\n-0.002675 4.413073 -0.002671\n0.002999 0.003002 4.413072\nBa Bi O\n1 1 3\ndirect\n0.499999 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Bi\n-0.000069 0.500000 0.000069 O\n0.500000 0.000068 -0.000069 O\n0.000069 -0.000069 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 7.618303494867799,
"density_atomic": 0.058176318082153095,
"volume": 85.94562469455872,
"volume_molar": 10.351532992335292,
"formula_full": "Ba1 Bi1 O3",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2787181539999997,
"spacegroup": 221
},
{
"id": "jvasp-34776",
"created_at": "2022-09-04T14:37:07.901023Z",
"updated_at": "2022-09-04T14:37:07.901056Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n5.413396 -0.000000 3.125426\n1.804466 5.103798 3.125426\n-0.000000 -0.000000 6.250851\nBa Bi O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500000 0.500000 Bi\n0.250072 0.749929 0.749929 O\n0.250072 0.749929 0.250072 O\n0.749929 0.250072 0.749929 O\n0.250072 0.250072 0.749928 O\n0.749929 0.250072 0.250072 O\n0.749930 0.749929 0.250072 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 7.582451065922563,
"density_atomic": 0.05790253503954513,
"volume": 172.704010164156,
"volume_molar": 10.400478590250179,
"formula_full": "Ba2 Bi2 O6",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2815161539999995,
"spacegroup": 221
},
{
"id": "jvasp-85709",
"created_at": "2022-09-04T14:36:05.645066Z",
"updated_at": "2022-09-04T14:36:05.645092Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n7.991195 3.882246 9.522328\n-1.240489 2.819767 2.759150\n-4.992067 -5.586908 -2.491301\nBa Bi O\n2 2 6\ndirect\n0.313929 0.903852 0.029170 Ba\n0.645228 -0.030236 0.960429 Ba\n0.100644 0.624036 0.257690 Bi\n0.812900 0.921599 0.628135 Bi\n0.608556 0.718163 0.156670 O\n0.558196 0.430481 0.473625 O\n0.160195 0.198693 0.578107 O\n0.280072 0.304010 0.623220 O\n0.577187 0.240985 0.621584 O\n0.943093 0.188418 0.671369 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 6.495252671446274,
"density_atomic": 0.04960026673820118,
"volume": 201.6118190005255,
"volume_molar": 12.141347529008069,
"formula_full": "Ba2 Bi2 O6",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3871961539999995,
"spacegroup": 1
},
{
"id": "jvasp-69229",
"created_at": "2022-09-04T14:36:21.757040Z",
"updated_at": "2022-09-04T14:36:21.757073Z",
"structure_string": "Ba1 Bi1 P4\n1.0\n0.000000 4.264189 4.264189\n4.264189 -0.000000 4.264189\n4.264189 4.264189 0.000000\nBa Bi P\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Bi\n0.034231 0.655257 0.655257 P\n0.655257 0.655257 0.655257 P\n0.655257 0.034231 0.655257 P\n0.655257 0.655257 0.034231 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 5.034944075798677,
"density_atomic": 0.0386911749387567,
"volume": 155.07412244516357,
"volume_molar": 15.564636559970841,
"formula_full": "Ba1 Bi1 P4",
"formula_reduced": "BaBiP4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.303717045,
"spacegroup": 216
},
{
"id": "jvasp-66442",
"created_at": "2022-09-04T14:36:21.607512Z",
"updated_at": "2022-09-04T14:36:21.607528Z",
"structure_string": "Ba1 Bi1 Pb1\n1.0\n0.000000 4.015643 4.015643\n4.015643 -0.000000 4.015643\n4.015643 4.015643 -0.000000\nBa Bi Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pb"
],
"chemical_system": "Ba-Bi-Pb",
"density": 7.097039870661138,
"density_atomic": 0.02316466216814268,
"volume": 129.5076085385681,
"volume_molar": 25.9971016036745,
"formula_full": "Ba1 Bi1 Pb1",
"formula_reduced": "BaBiPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2109870299999999,
"spacegroup": 216
},
{
"id": "jvasp-55022",
"created_at": "2022-09-04T14:37:42.138056Z",
"updated_at": "2022-09-04T14:37:42.138075Z",
"structure_string": "Ba2 Bi4 Pd4\n1.0\n0.000000 5.010373 -0.009134\n4.929266 0.000000 0.000000\n0.000000 -0.267834 -10.963498\nBa Bi Pd\n2 4 4\ndirect\n0.259581 0.750001 0.759100 Ba\n0.740420 0.250000 0.240899 Ba\n0.210817 0.750001 0.119121 Bi\n0.248150 0.250000 0.501476 Bi\n0.751851 0.750001 0.498524 Bi\n0.789183 0.250000 0.880879 Bi\n0.751539 0.250000 0.626482 Pd\n0.306497 0.250000 0.001138 Pd\n0.248461 0.750001 0.373518 Pd\n0.693503 0.750001 0.998862 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pd"
],
"chemical_system": "Ba-Bi-Pd",
"density": 9.420886692339673,
"density_atomic": 0.036929991184335695,
"volume": 270.7826262423161,
"volume_molar": 16.306910905936977,
"formula_full": "Ba2 Bi4 Pd4",
"formula_reduced": "Ba(BiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9101011940000002,
"spacegroup": 11
},
{
"id": "jvasp-16716",
"created_at": "2022-09-04T14:38:33.153778Z",
"updated_at": "2022-09-04T14:38:33.153802Z",
"structure_string": "Ba1 B2 Ir2\n1.0\n3.764678 -0.000000 -1.227682\n-0.400354 3.743330 -1.227682\n-0.002998 -0.003336 6.376823\nBa B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.680610 0.680609 0.361219 B\n0.319391 0.319390 0.638782 B\n0.750000 0.249999 0.500000 Ir\n0.250001 0.750000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Ir"
],
"chemical_system": "B-Ba-Ir",
"density": 10.044165917474869,
"density_atomic": 0.0556581462731916,
"volume": 89.83410937651563,
"volume_molar": 10.819873034292259,
"formula_full": "Ba1 B2 Ir2",
"formula_reduced": "Ba(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.722424667333334,
"spacegroup": 139
}
]
}