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"is_magnetic": true,
"total_magnetization": 6.9937302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.115000Z",
"spacegroup": 216
},
{
"id": "mp-1517086",
"created_at": "2022-09-04T14:43:50.107072Z",
"structure_string": "K1 Ba1 Sr1 Mn1 O6\n1.0\n0.000000 -4.327397 -4.327397\n4.327397 0.000000 -4.327397\n4.327397 -4.327397 -0.000000\nK Ba Sr Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 -0.000000 -0.000000 Mn\n0.780871 0.219129 0.219129 O\n0.219129 0.780871 0.780871 O\n0.780871 0.219129 0.780871 O\n0.219129 0.780871 0.219129 O\n0.780871 0.780871 0.219129 O\n0.219129 0.219129 0.780871 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Sr",
"Mn",
"O"
],
"chemical_system": "Ba-K-Mn-O-Sr",
"density": 4.251731026123654,
"density_atomic": 0.06170065655089806,
"volume": 162.07282967484807,
"volume_molar": 9.760253936734403,
"formula_full": "K1 Ba1 Sr1 Mn1 O6",
"formula_reduced": "KBaSrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -63.6961488,
"energy_per_atom": -6.36961488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.9061488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.843000Z",
"spacegroup": 216
}
]
}