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{
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"formula_full": "Ba4 Y2 Cu5 Pd1 O14",
"formula_reduced": "Ba4Y2Cu5PdO14",
"formula_anonymous": "AB2C4D5E14",
"energy": -171.92879818,
"energy_per_atom": -6.612646083846154,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -162.31079818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5513509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.740000Z",
"spacegroup": 47
},
{
"id": "mp-3611",
"created_at": "2022-09-04T14:40:14.756949Z",
"structure_string": "Dy4 Hf4 O14\n1.0\n0.000000 5.252801 5.252801\n5.252801 0.000000 5.252801\n5.252801 5.252801 0.000000\nDy Hf O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.625000 0.125000 0.125000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.125000 0.625000 Hf\n0.625000 0.625000 0.125000 Hf\n0.125000 0.625000 0.625000 Hf\n0.625000 0.625000 0.625000 Hf\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.286970 0.286970 0.713030 O\n0.536970 0.536970 0.963030 O\n0.713030 0.286970 0.713030 O\n0.713030 0.286970 0.286970 O\n0.286970 0.713030 0.713030 O\n0.286970 0.713030 0.286970 O\n0.713030 0.713030 0.286970 O\n0.963030 0.536970 0.536970 O\n0.536970 0.963030 0.963030 O\n0.963030 0.963030 0.536970 O\n0.963030 0.536970 0.963030 O\n0.536970 0.963030 0.536970 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Hf",
"O"
],
"chemical_system": "Dy-Hf-O",
"density": 9.09669259483665,
"density_atomic": 0.07589616661242826,
"volume": 289.86971255538253,
"volume_molar": 7.934710050314786,
"formula_full": "Dy4 Hf4 O14",
"formula_reduced": "Dy2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy": -215.84704301,
"energy_per_atom": -9.811229227727273,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -206.22904301,
"band_gap": 3.2281,
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"updated_at": "2021-11-28T01:34:52.078000Z",
"spacegroup": 227
}
]
}