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"structure_string": "Ba1 Zn1 Cr4 O8\n1.0\n2.683241 -4.647510 0.000000\n2.683241 4.647510 0.000000\n-0.000000 -0.000000 7.166785\nBa Zn Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.739868 Cr\n0.666667 0.333333 0.739868 Cr\n0.333333 0.666667 0.260131 Cr\n0.666667 0.333333 0.260131 Cr\n0.317733 0.317733 0.678248 O\n0.682267 -0.000000 0.678248 O\n-0.000000 0.682267 0.678248 O\n0.682267 0.682267 0.321751 O\n-0.000000 0.317733 0.321751 O\n0.317733 -0.000000 0.321751 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"formula_reduced": "NaB(CO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 4.0588878273809526,
"spacegroup": 63
}
]
}