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{
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{
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"id": "mp-1521356",
"created_at": "2022-09-04T14:44:42.152132Z",
"structure_string": "Ca2 Sm2 Mn2 Sn2 O12\n1.0\n5.588883 -0.072144 0.253571\n-0.058284 5.553286 0.063833\n0.408246 0.124259 8.883017\nCa Sm Mn Sn O\n2 2 2 2 12\ndirect\n0.526672 0.548503 0.275676 Ca\n0.473328 0.451497 0.724324 Ca\n0.500000 -0.000000 -0.000000 Sm\n-0.000000 0.500000 0.500000 Sm\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.974601 0.043350 0.226836 Sn\n0.025399 0.956650 0.773164 Sn\n0.175853 0.220637 0.920229 O\n0.347562 0.698024 0.540398 O\n0.824147 0.779363 0.079771 O\n0.652438 0.301976 0.459602 O\n0.248495 0.718595 0.893322 O\n0.215509 0.156746 0.602965 O\n0.751505 0.281405 0.106678 O\n0.784491 0.843254 0.397035 O\n0.295150 0.883203 0.226232 O\n0.141426 0.366751 0.259696 O\n0.704850 0.116797 0.773768 O\n0.858574 0.633249 0.740304 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Sm",
"Mn",
"Sn",
"O"
],
"chemical_system": "Ca-Mn-O-Sm-Sn",
"density": 5.555466600143038,
"density_atomic": 0.0727169711182995,
"volume": 275.03895847728626,
"volume_molar": 8.281616612170065,
"formula_full": "Ca2 Sm2 Mn2 Sn2 O12",
"formula_reduced": "CaSmMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -152.81713556000005,
"energy_per_atom": -7.6408567780000025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.23713556,
"band_gap": 1.0705999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.142000Z",
"spacegroup": 2
}
]
}