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"id": "mp-1522003",
"created_at": "2022-09-04T14:46:11.618853Z",
"structure_string": "Ba4 La4 Eu4 W4 O24\n1.0\n11.010093 0.000000 0.000000\n0.000000 10.530375 0.000000\n0.000000 0.000000 10.019123\nBa La Eu W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Eu\n-0.000000 0.500000 -0.000000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n-0.002998 0.211283 0.285624 O\n0.002998 0.788717 0.285624 O\n0.002998 0.211283 0.714376 O\n-0.002998 0.788717 0.714376 O\n0.291585 0.021646 0.205606 O\n0.291585 0.978354 0.794394 O\n0.708415 0.978354 0.205606 O\n0.708415 0.021646 0.794394 O\n0.206615 0.291749 0.029452 O\n0.793385 0.291749 0.970548 O\n0.206615 0.708251 0.970548 O\n0.793385 0.708251 0.029452 O\n0.502998 0.288717 0.214376 O\n0.497002 0.711283 0.214376 O\n0.497002 0.288717 0.785624 O\n0.502998 0.711283 0.785624 O\n0.208415 0.478354 0.294394 O\n0.208415 0.521646 0.705606 O\n0.791585 0.521646 0.294394 O\n0.791585 0.478354 0.705606 O\n0.293385 0.208251 0.470548 O\n0.706615 0.208251 0.529452 O\n0.293385 0.791749 0.529452 O\n0.706615 0.791749 0.470548 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"La",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-La-O-W",
"density": 4.048535725030694,
"density_atomic": 0.034434632980314885,
"volume": 1161.6212091723658,
"volume_molar": 17.488616078593473,
"formula_full": "Ba4 La4 Eu4 W4 O24",
"formula_reduced": "BaLaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -291.79124827,
"energy_per_atom": -7.29478120675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.55124827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6957929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.002000Z",
"spacegroup": 48
}
]
}