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{
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{
"id": "mp-1214534",
"created_at": "2022-09-04T14:48:04.532604Z",
"structure_string": "Ba10 Lu4 Zr2 Al4 O26\n1.0\n2.987671 -5.174798 0.000000\n2.987671 5.174798 0.000000\n0.000000 0.000000 24.920531\nBa Lu Zr Al O\n10 4 2 4 26\ndirect\n0.333333 0.666667 0.542891 Ba\n0.666667 0.333333 0.457109 Ba\n0.666667 0.333333 0.042891 Ba\n0.333333 0.666667 0.957109 Ba\n0.000000 0.000000 0.138843 Ba\n0.000000 0.000000 0.861157 Ba\n0.000000 0.000000 0.638843 Ba\n0.000000 0.000000 0.361157 Ba\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.103803 Lu\n0.666667 0.333333 0.896197 Lu\n0.666667 0.333333 0.603803 Lu\n0.333333 0.666667 0.396197 Lu\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.680379 Al\n0.666667 0.333333 0.319621 Al\n0.666667 0.333333 0.180379 Al\n0.333333 0.666667 0.819621 Al\n0.503751 0.007502 0.157798 O\n0.496249 0.992498 0.842202 O\n0.992498 0.496249 0.157798 O\n0.496249 0.992498 0.657798 O\n0.007502 0.503751 0.842202 O\n0.503751 0.007502 0.342202 O\n0.503751 0.496249 0.157798 O\n0.007502 0.503751 0.657798 O\n0.496249 0.503751 0.842202 O\n0.992498 0.496249 0.342202 O\n0.496249 0.503751 0.657798 O\n0.503751 0.496249 0.342202 O\n0.163749 0.327499 0.051355 O\n0.836251 0.672501 0.948645 O\n0.672501 0.836251 0.051355 O\n0.836251 0.672501 0.551355 O\n0.327499 0.163749 0.948645 O\n0.163749 0.327499 0.448645 O\n0.163749 0.836251 0.051355 O\n0.327499 0.163749 0.551355 O\n0.836251 0.163749 0.948645 O\n0.672501 0.836251 0.448645 O\n0.836251 0.163749 0.551355 O\n0.163749 0.836251 0.448645 O\n0.333333 0.666667 0.750000 O\n0.666667 0.333333 0.250000 O\n",
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{
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{
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{
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{
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{
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"formula_reduced": "MnIr3",
"formula_anonymous": "AB3",
"energy": -72.66810917,
"energy_per_atom": -9.08351364625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.66810917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7120257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.645000Z",
"spacegroup": 194
}
]
}