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"id": "mp-1518007",
"created_at": "2022-09-04T14:47:41.519049Z",
"structure_string": "Ba4 Ca4 Eu4 Nb4 O24\n1.0\n8.433457 0.000000 0.000000\n0.000000 8.483900 0.000000\n0.000000 0.000000 8.470434\nBa Ca Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.747459 0.747045 0.755221 Eu\n0.252541 0.252955 0.755221 Eu\n0.252541 0.747045 0.244779 Eu\n0.747459 0.252955 0.244779 Eu\n0.247105 0.257953 0.245128 Nb\n0.752895 0.742047 0.245128 Nb\n0.752895 0.257953 0.754872 Nb\n0.247105 0.742047 0.754872 Nb\n0.016407 0.207263 0.267768 O\n0.983593 0.792737 0.267768 O\n0.983593 0.207263 0.732232 O\n0.016407 0.792737 0.732232 O\n0.295415 0.022420 0.199608 O\n0.295415 0.977580 0.800392 O\n0.704585 0.977580 0.199608 O\n0.704585 0.022420 0.800392 O\n0.204137 0.307212 0.015476 O\n0.795863 0.307212 0.984524 O\n0.204137 0.692788 0.984524 O\n0.795863 0.692788 0.015476 O\n0.480915 0.305853 0.204779 O\n0.519085 0.694147 0.204779 O\n0.519085 0.305853 0.795221 O\n0.480915 0.694147 0.795221 O\n0.203033 0.485226 0.302306 O\n0.203033 0.514774 0.697694 O\n0.796967 0.514774 0.302306 O\n0.796967 0.485226 0.697694 O\n0.281065 0.221638 0.480023 O\n0.718935 0.221638 0.519977 O\n0.281065 0.778362 0.519977 O\n0.718935 0.778362 0.480023 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Eu-Nb-O",
"density": 5.680150099882881,
"density_atomic": 0.06600140075395165,
"volume": 606.0477435792166,
"volume_molar": 9.124262047786072,
"formula_full": "Ba4 Ca4 Eu4 Nb4 O24",
"formula_reduced": "BaCaEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -343.86363515,
"energy_per_atom": -8.59659087875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.37563515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.479000Z",
"spacegroup": 16
}
]
}