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"id": "mp-1191484",
"created_at": "2022-09-04T14:39:29.957704Z",
"structure_string": "Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 5.789877363368063,
"density_atomic": 0.06346686795532967,
"volume": 346.6375560786206,
"volume_molar": 9.488637070035667,
"formula_full": "Mn22",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -183.81946655,
"energy_per_atom": -8.355430297727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.81946655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9884061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.072000Z",
"spacegroup": 216
}
]
}