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{
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{
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{
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{
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{
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"id": "mp-1234032",
"created_at": "2022-09-04T14:41:15.416644Z",
"structure_string": "Mg1 Fe8 O14 F2\n1.0\n4.821184 -0.022064 -0.016774\n-0.021860 4.839026 -0.012048\n-0.043004 -0.030394 11.825277\nMg Fe O F\n1 8 14 2\ndirect\n0.003560 0.496949 0.248764 Mg\n0.002711 0.995635 0.005872 Fe\n0.997684 0.995933 0.252780 Fe\n0.033533 0.020634 0.504659 Fe\n0.000522 0.988174 0.747793 Fe\n0.501319 0.496901 0.120693 Fe\n0.496601 0.486363 0.635100 Fe\n0.466456 0.523972 0.876800 Fe\n0.502199 0.490789 0.377898 Fe\n0.158090 0.778009 0.136045 O\n0.198941 0.801086 0.625495 O\n0.169585 0.813054 0.878575 O\n0.164626 0.778075 0.368149 O\n0.311009 0.307276 0.002038 O\n0.339919 0.286000 0.245996 O\n0.336211 0.304406 0.503464 O\n0.299284 0.307519 0.760244 O\n0.671727 0.697351 0.001976 O\n0.665284 0.705926 0.248329 O\n0.679655 0.689298 0.756909 O\n0.839908 0.215584 0.134862 O\n0.849951 0.223923 0.368648 O\n0.816502 0.191852 0.628175 O\n0.695979 0.709727 0.500855 F\n0.798742 0.195572 0.880994 F\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Mg-O",
"density": 4.412442078096496,
"density_atomic": 0.09062213976101254,
"volume": 275.87077579418957,
"volume_molar": 6.645330573612041,
"formula_full": "Mg1 Fe8 O14 F2",
"formula_reduced": "MgFe8(O7F)2",
"formula_anonymous": "AB2C8D14",
"energy": -182.06722836,
"energy_per_atom": -7.2826891344,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.47722836,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0051226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.376000Z",
"spacegroup": 1
}
]
}