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"formation_energy": null,
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"energy_uncorrected": -84.77236679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.184000Z",
"spacegroup": 216
},
{
"id": "mp-1519121",
"created_at": "2022-09-04T14:46:27.892013Z",
"structure_string": "Na4 Sr4 Pr4 Bi4 O24\n1.0\n8.702181 0.000000 0.000000\n0.000000 8.498695 0.000000\n0.000000 0.000000 8.611163\nNa Sr Pr Bi O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 -0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.988096 0.249842 0.311356 O\n0.011904 0.750158 0.311356 O\n0.011904 0.249842 0.688644 O\n0.988096 0.750158 0.688644 O\n0.235434 0.986220 0.168000 O\n0.235434 0.013780 0.832000 O\n0.764566 0.013780 0.168000 O\n0.764566 0.986220 0.832000 O\n0.215500 0.334959 0.985948 O\n0.784500 0.334959 0.014052 O\n0.215500 0.665041 0.014052 O\n0.784500 0.665041 0.985948 O\n0.511904 0.250158 0.188644 O\n0.488096 0.749842 0.188644 O\n0.488096 0.250158 0.811356 O\n0.511904 0.749842 0.811356 O\n0.264566 0.513780 0.332000 O\n0.264566 0.486220 0.668000 O\n0.735434 0.486220 0.332000 O\n0.735434 0.513780 0.668000 O\n0.284500 0.165041 0.514052 O\n0.715500 0.165041 0.485948 O\n0.284500 0.834959 0.485948 O\n0.715500 0.834959 0.514052 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O-Pr-Sr",
"density": 5.804002360389064,
"density_atomic": 0.06280841379257468,
"volume": 636.8573505470197,
"volume_molar": 9.588111522587038,
"formula_full": "Na4 Sr4 Pr4 Bi4 O24",
"formula_reduced": "NaSrPrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -257.57306031,
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"formation_energy": null,
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"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.764000Z",
"spacegroup": 48
}
]
}