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"created_at": "2022-09-04T14:36:08.233159Z",
"updated_at": "2022-09-04T14:36:08.233182Z",
"structure_string": "Fe12 B4 O24\n1.0\n4.289029 0.000000 0.000000\n-0.000000 8.157042 0.000000\n0.000000 0.000000 9.610709\nFe B O\n12 4 24\ndirect\n0.003469 0.931353 0.872994 Fe\n0.996532 0.431353 0.127006 Fe\n0.496532 0.568647 0.372994 Fe\n0.996532 0.068647 0.127006 Fe\n0.496532 0.931353 0.372994 Fe\n0.003469 0.568647 0.872994 Fe\n0.503469 0.431353 0.627006 Fe\n0.034374 0.750000 0.596373 Fe\n0.534375 0.250000 0.903627 Fe\n0.965626 0.250000 0.403627 Fe\n0.465626 0.750000 0.096373 Fe\n0.503469 0.068647 0.627006 Fe\n0.080753 0.250000 0.720796 B\n0.919247 0.750000 0.279204 B\n0.419247 0.250000 0.220796 B\n0.580753 0.750000 0.779204 B\n0.252808 0.750000 0.278028 O\n0.780000 0.750000 0.423063 O\n0.280000 0.250000 0.076937 O\n0.220000 0.250000 0.576937 O\n0.720000 0.750000 0.923063 O\n0.767458 0.417927 0.967623 O\n0.267458 0.582073 0.532377 O\n0.232542 0.917927 0.032377 O\n0.232542 0.582073 0.032377 O\n0.247192 0.750000 0.778028 O\n0.732542 0.417927 0.467623 O\n0.267458 0.917927 0.532377 O\n0.235131 0.394070 0.790460 O\n0.735131 0.605930 0.709540 O\n0.764869 0.894070 0.209540 O\n0.264869 0.105930 0.290460 O\n0.732542 0.082073 0.467623 O\n0.264869 0.394070 0.290460 O\n0.235131 0.105930 0.790460 O\n0.735131 0.894070 0.709540 O\n0.752808 0.250000 0.221972 O\n0.747192 0.250000 0.721972 O\n0.767458 0.082073 0.967623 O\n0.764869 0.605930 0.209540 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-O",
"density": 5.41944625436309,
"density_atomic": 0.11896326705718047,
"volume": 336.2382438671068,
"volume_molar": 5.06218508365731,
"formula_full": "Fe12 B4 O24",
"formula_reduced": "Fe3BO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.334770008333333,
"spacegroup": 62
}
]
}