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"id": "mp-505440",
"created_at": "2022-09-04T14:47:46.881073Z",
"structure_string": "Sr8 Fe12 O26\n1.0\n-2.730236 5.571804 9.941607\n2.730236 -5.571804 9.941607\n2.730236 5.571804 -9.941607\nSr Fe O\n8 12 26\ndirect\n0.216442 0.853270 0.380881 Sr\n0.783558 0.164439 0.636829 Sr\n0.472389 0.353270 0.136829 Sr\n0.527611 0.664439 0.880881 Sr\n0.035681 0.665120 0.374324 Sr\n0.964319 0.338643 0.629439 Sr\n0.290796 0.165120 0.129439 Sr\n0.709204 0.838643 0.874324 Sr\n0.663071 0.610149 0.204903 Fe\n0.336929 0.541832 0.947078 Fe\n0.405246 0.110149 0.447078 Fe\n0.594754 0.041832 0.704903 Fe\n0.055608 0.963559 0.115543 Fe\n0.944392 0.059935 0.907951 Fe\n0.848016 0.463559 0.407951 Fe\n0.151984 0.559935 0.615543 Fe\n0.875093 0.754671 0.126052 Fe\n0.124907 0.250960 0.879578 Fe\n0.628618 0.254671 0.379578 Fe\n0.371382 0.750960 0.626052 Fe\n0.758621 0.628854 0.135838 O\n0.241379 0.377217 0.870233 O\n0.493015 0.128854 0.370233 O\n0.506985 0.877217 0.635838 O\n0.969764 0.842972 0.101589 O\n0.030236 0.131825 0.873207 O\n0.741383 0.342972 0.373207 O\n0.258617 0.631825 0.601589 O\n0.742874 0.997602 0.259539 O\n0.257126 0.516665 0.254729 O\n0.738064 0.497602 0.754729 O\n0.261936 0.016665 0.759539 O\n0.003218 0.003964 0.502533 O\n0.996782 0.499315 0.000746 O\n0.501431 0.503964 0.500746 O\n0.498569 0.999315 0.002533 O\n0.758668 0.944593 0.630896 O\n0.241332 0.872228 0.185925 O\n0.313697 0.444593 0.685925 O\n0.686303 0.372228 0.130896 O\n0.970078 0.423054 0.300443 O\n0.029922 0.330365 0.452976 O\n0.122610 0.923054 0.952976 O\n0.877390 0.830365 0.800443 O\n0.500000 0.800618 0.300618 O\n0.500000 0.300618 0.800618 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 4.905480561883348,
"density_atomic": 0.07604054652754279,
"volume": 604.9404179826385,
"volume_molar": 7.919644235879748,
"formula_full": "Sr8 Fe12 O26",
"formula_reduced": "Sr4Fe6O13",
"formula_anonymous": "A4B6C13",
"energy": -344.3406173,
"energy_per_atom": -7.485665593478261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.4066173,
"band_gap": 1.0922,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 60.0005269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.182000Z",
"spacegroup": 45
}
]
}