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"updated_at": "2021-11-28T01:37:02.002000Z",
"spacegroup": 1
},
{
"id": "mp-1517703",
"created_at": "2022-09-04T14:45:18.618160Z",
"structure_string": "Ba2 Sr2 La2 W2 O12\n1.0\n6.076000 -0.010337 -0.043592\n-0.015814 6.121040 -0.012110\n-0.068521 -0.023551 8.592250\nBa Sr La W O\n2 2 2 2 12\ndirect\n0.509696 0.535708 0.248232 Ba\n0.490304 0.464292 0.751768 Ba\n0.990495 0.041650 0.252881 Sr\n0.009505 0.958350 0.747119 Sr\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.231551 0.186765 0.955766 O\n0.263726 0.692146 0.534480 O\n0.768449 0.813235 0.044234 O\n0.736274 0.307854 0.465520 O\n0.304807 0.734473 0.954034 O\n0.185774 0.224636 0.545672 O\n0.695193 0.265527 0.045966 O\n0.814226 0.775364 0.454328 O\n0.410801 0.994241 0.225068 O\n0.073911 0.474248 0.273451 O\n0.589199 0.005759 0.774932 O\n0.926089 0.525752 0.726549 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"W",
"O"
],
"chemical_system": "Ba-La-O-Sr-W",
"density": 6.690126844111851,
"density_atomic": 0.06259062017247419,
"volume": 319.53669647126304,
"volume_molar": 9.621474820676706,
"formula_full": "Ba2 Sr2 La2 W2 O12",
"formula_reduced": "BaSrLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -163.86702454000002,
"energy_per_atom": -8.193351227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.74702454,
"band_gap": 2.2543,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.478000Z",
"spacegroup": 2
}
]
}