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{
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{
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{
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{
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{
"id": "mp-1228618",
"created_at": "2022-09-04T14:43:43.530062Z",
"structure_string": "Ba3 Mn4 Pt1 O12\n1.0\n5.974362 0.000000 0.000000\n0.000000 5.153796 0.000000\n0.000000 0.062492 10.291028\nBa Mn Pt O\n3 4 1 12\ndirect\n0.000000 0.232843 0.170239 Ba\n0.500000 0.193532 0.662920 Ba\n0.500000 0.739915 0.334005 Ba\n0.500000 0.630018 0.002881 Mn\n0.000000 0.602539 0.496036 Mn\n0.500000 0.109809 0.007830 Mn\n0.000000 0.093589 0.492335 Mn\n0.000000 0.387534 0.835232 Pt\n0.292495 0.871928 0.084829 O\n0.781850 0.851963 0.557411 O\n0.000000 0.848924 0.348259 O\n0.500000 0.877681 0.866830 O\n0.707505 0.871928 0.084829 O\n0.218150 0.851963 0.557411 O\n0.214009 0.351126 0.430381 O\n0.710297 0.372442 0.925640 O\n0.500000 0.371479 0.142141 O\n0.000000 0.350415 0.644761 O\n0.785991 0.351126 0.430381 O\n0.289703 0.372442 0.925640 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Pt",
"O"
],
"chemical_system": "Ba-Mn-O-Pt",
"density": 5.339059614851867,
"density_atomic": 0.06311789081174994,
"volume": 316.86736902616565,
"volume_molar": 9.541099492632169,
"formula_full": "Ba3 Mn4 Pt1 O12",
"formula_reduced": "Ba3Mn4PtO12",
"formula_anonymous": "AB3C4D12",
"energy": -148.64301283,
"energy_per_atom": -7.4321506415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.72701283,
"band_gap": 0.0682,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9996776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.478000Z",
"spacegroup": 6
}
]
}