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"structure_string": "Co6 O2 F10\n1.0\n4.719153 0.000000 0.000000\n0.171144 5.692148 0.000000\n0.202518 0.358407 7.894557\nCo O F\n6 2 10\ndirect\n0.500000 0.500000 0.000000 Co\n0.484293 0.179687 0.336991 Co\n0.515707 0.820313 0.663009 Co\n0.971408 0.349588 0.676834 Co\n0.028592 0.650412 0.323166 Co\n0.000000 0.000000 0.000000 Co\n0.701194 0.531377 0.769983 O\n0.298806 0.468623 0.230017 O\n0.806309 0.369510 0.436055 F\n0.805886 0.036064 0.763992 F\n0.804361 0.704088 0.105059 F\n0.695364 0.200917 0.103538 F\n0.705709 0.864192 0.427124 F\n0.294291 0.135808 0.572876 F\n0.304636 0.799083 0.896462 F\n0.194114 0.963936 0.236008 F\n0.195639 0.295912 0.894941 F\n0.193691 0.630490 0.563945 F\n",
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"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "Co-F-O",
"density": 4.507007665667388,
"density_atomic": 0.08487982958363907,
"volume": 212.06451624956577,
"volume_molar": 7.094902039201068,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy": -109.1845524,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.3625524,
"band_gap": 0.9136,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.584000Z",
"spacegroup": 2
},
{
"id": "mp-758748",
"created_at": "2022-09-04T14:48:19.363879Z",
"structure_string": "Co6 O2 F10\n1.0\n4.713902 0.000000 0.000000\n0.000000 4.717604 0.000000\n0.000000 0.000000 9.525872\nCo O F\n6 2 10\ndirect\n0.782850 0.028863 0.000000 Co\n0.753485 0.989106 0.338683 Co\n0.753485 0.989106 0.661317 Co\n0.246515 0.489106 0.161317 Co\n0.246515 0.489106 0.838683 Co\n0.217150 0.528863 0.500000 Co\n0.948040 0.796148 0.500000 O\n0.051960 0.296148 0.000000 O\n0.947013 0.802595 0.164848 F\n0.947013 0.802595 0.835152 F\n0.052987 0.302595 0.335152 F\n0.052987 0.302595 0.664848 F\n0.440621 0.690211 0.667196 F\n0.466760 0.711164 0.000000 F\n0.440621 0.690211 0.332804 F\n0.559379 0.190211 0.167196 F\n0.559379 0.190211 0.832804 F\n0.533240 0.211164 0.500000 F\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-F-O",
"density": 4.511796768413725,
"density_atomic": 0.08497002206945713,
"volume": 211.83941773354186,
"volume_molar": 7.0873710672657175,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy": -109.17413466,
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"formation_energy": null,
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"band_gap": 1.1396,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.880000Z",
"spacegroup": 31
}
]
}