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{
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"created_at": "2022-09-04T14:39:20.520929Z",
"structure_string": "Ba2 Sr2 Eu2 Bi2 O12\n1.0\n6.107934 0.004109 0.007533\n0.009303 6.225731 -0.010658\n0.017647 -0.007805 8.709119\nBa Sr Eu Bi O\n2 2 2 2 12\ndirect\n0.990546 0.040106 0.249712 Ba\n0.009454 0.959894 0.750288 Ba\n0.511664 0.547345 0.250942 Sr\n0.488336 0.452655 0.749058 Sr\n0.500000 0.000000 0.000000 Eu\n-0.000000 0.500000 0.500000 Eu\n-0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.201633 0.221434 0.956065 O\n0.306888 0.714228 0.547004 O\n0.798367 0.778566 0.043935 O\n0.693112 0.285772 0.452996 O\n0.284518 0.696079 0.950989 O\n0.220331 0.204330 0.540656 O\n0.715482 0.303921 0.049011 O\n0.779669 0.795670 0.459344 O\n0.426053 0.963287 0.259305 O\n0.094079 0.485071 0.239883 O\n0.573947 0.036713 0.740695 O\n0.905921 0.514929 0.760117 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Eu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Eu-O-Sr",
"density": 6.838097537619102,
"density_atomic": 0.060391146338712266,
"volume": 331.174372611296,
"volume_molar": 9.971893439849566,
"formula_full": "Ba2 Sr2 Eu2 Bi2 O12",
"formula_reduced": "BaSrEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -146.98220165,
"energy_per_atom": -7.3491100825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.73820165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9981962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.127000Z",
"spacegroup": 2
},
{
"id": "mp-1520467",
"created_at": "2022-09-04T14:42:00.442016Z",
"structure_string": "Na1 Mn1 Bi1 W1 O6\n1.0\n-0.000000 -4.028757 -4.028757\n4.028757 0.000000 -4.028757\n4.028757 -4.028757 0.000000\nNa Mn Bi W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 W\n0.740070 0.259930 0.259930 O\n0.259930 0.740070 0.740070 O\n0.740070 0.259930 0.740070 O\n0.259930 0.740070 0.259930 O\n0.740070 0.740070 0.259930 O\n0.259930 0.259930 0.740070 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Mn",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Mn-Na-O-W",
"density": 7.1960352854918845,
"density_atomic": 0.07646395982640047,
"volume": 130.7805667232438,
"volume_molar": 7.875789814799462,
"formula_full": "Na1 Mn1 Bi1 W1 O6",
"formula_reduced": "NaMnBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -75.81044818,
"energy_per_atom": -7.581044818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.58244818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9772613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.687000Z",
"spacegroup": 216
}
]
}