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{
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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-1102979",
"created_at": "2022-09-04T14:44:31.439380Z",
"structure_string": "Fe1 S2 O9\n1.0\n-2.473111 0.004580 4.303169\n2.477526 0.045438 4.309304\n0.072284 8.182069 2.892211\nFe S O\n1 2 9\ndirect\n0.500000 0.000000 0.000000 Fe\n0.768679 0.258367 0.206677 S\n0.231321 0.741633 0.793323 S\n0.092763 0.229726 0.143834 O\n0.907237 0.770274 0.856166 O\n0.533018 0.588742 0.147856 O\n0.466982 0.411258 0.852144 O\n0.732560 0.032811 0.142714 O\n0.267440 0.967189 0.857286 O\n0.713536 0.181935 0.386274 O\n0.286464 0.818065 0.613726 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"S",
"O"
],
"chemical_system": "Fe-O-S",
"density": 2.5182840609600126,
"density_atomic": 0.06894185282247565,
"volume": 174.05972582285887,
"volume_molar": 8.735101412935524,
"formula_full": "Fe1 S2 O9",
"formula_reduced": "FeS2O9",
"formula_anonymous": "AB2C9",
"energy": -77.29222977,
"energy_per_atom": -6.4410191475000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.85322977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.161000Z",
"spacegroup": 2
}
]
}