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"created_at": "2022-09-04T14:38:08.763221Z",
"updated_at": "2022-09-04T14:38:08.763252Z",
"structure_string": "Ta4 Mn4 O14\n1.0\n-0.000000 5.157425 5.157425\n5.157425 -0.000000 5.157425\n5.157425 5.157425 0.000000\nTa Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.823040 0.426959 0.823040 O\n0.823040 0.823040 0.426959 O\n0.426959 0.426959 0.823040 O\n0.426959 0.823040 0.426959 O\n0.176959 0.573041 0.573041 O\n0.823040 0.426959 0.426959 O\n0.573041 0.176959 0.573041 O\n0.176959 0.573041 0.176959 O\n0.176959 0.176959 0.573041 O\n0.426959 0.823040 0.823040 O\n0.573041 0.176959 0.176959 O\n0.125000 0.125000 0.125000 O\n0.573041 0.573041 0.176959 O\n0.874999 0.874999 0.874999 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 7.066272130452937,
"density_atomic": 0.080185145538699,
"volume": 274.3650317300023,
"volume_molar": 7.510294730454272,
"formula_full": "Ta4 Mn4 O14",
"formula_reduced": "Ta2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 4.048799762068965,
"spacegroup": 227
}
]
}