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{
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"id": "mp-1218493",
"created_at": "2022-09-04T14:39:05.807965Z",
"structure_string": "Sr12 Ti6 Fe2 O28\n1.0\n3.937413 -0.000017 -0.000001\n-0.000017 3.937412 0.000000\n-0.000013 -0.000004 40.874563\nSr Ti Fe O\n12 6 2 28\ndirect\n0.500000 0.500000 0.092559 Sr\n0.500000 0.499999 0.592668 Sr\n0.000001 0.000005 0.341788 Sr\n0.000001 0.000001 0.841872 Sr\n0.000000 0.999999 0.158949 Sr\n0.000001 0.999999 0.659036 Sr\n0.500001 0.499999 0.407792 Sr\n0.499999 0.500002 0.907909 Sr\n0.500000 0.500004 0.000156 Sr\n0.500001 0.500003 0.500164 Sr\n0.000000 0.000001 0.248682 Sr\n0.999999 0.000001 0.748537 Sr\n0.000002 0.000001 0.451083 Ti\n0.000001 0.000001 0.951189 Ti\n0.000000 0.000001 0.049184 Ti\n0.000000 0.000001 0.549204 Ti\n0.500000 0.500001 0.298610 Ti\n0.499999 0.500001 0.798628 Ti\n0.499999 0.499983 0.701294 Fe\n0.500002 0.500000 0.201267 Fe\n0.500001 0.500000 0.153321 O\n0.500001 0.500001 0.653349 O\n0.999999 0.000000 0.402799 O\n0.999997 0.999996 0.902894 O\n0.000001 0.999999 0.097167 O\n0.000001 0.999999 0.597177 O\n0.500001 0.499998 0.346584 O\n0.500000 0.499999 0.846641 O\n0.999999 0.000000 0.500033 O\n0.999998 0.999998 0.000009 O\n0.499999 0.500000 0.249482 O\n0.500000 0.499998 0.749493 O\n0.000000 0.500001 0.201976 O\n0.000001 0.500000 0.701954 O\n0.500000 0.000000 0.201977 O\n0.499999 0.000000 0.701954 O\n0.499999 0.000002 0.451732 O\n0.499999 0.000001 0.951785 O\n0.999999 0.500002 0.451732 O\n0.000000 0.499999 0.951785 O\n0.499999 0.000001 0.048323 O\n0.500000 0.000001 0.548352 O\n0.000000 0.500001 0.048323 O\n0.999999 0.500000 0.548352 O\n0.000000 0.500002 0.298056 O\n0.000001 0.500001 0.798060 O\n0.500001 0.000001 0.298057 O\n0.500000 0.000000 0.798060 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr-Ti",
"density": 4.974420205053892,
"density_atomic": 0.07574714762119586,
"volume": 633.6872279342233,
"volume_molar": 7.950320175904368,
"formula_full": "Sr12 Ti6 Fe2 O28",
"formula_reduced": "Sr6Ti3FeO14",
"formula_anonymous": "AB3C6D14",
"energy": -377.56092391,
"energy_per_atom": -7.865852581458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.81292391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0048525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.435000Z",
"spacegroup": 99
}
]
}