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{
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{
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{
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{
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"structure_string": "Ba6 Lu2 Ir4 O18\n1.0\n2.955169 -5.118503 0.000000\n2.955169 5.118503 0.000000\n0.000000 0.000000 14.614562\nBa Lu Ir O\n6 2 4 18\ndirect\n0.666667 0.333333 0.091823 Ba\n0.333333 0.666667 0.591823 Ba\n0.666667 0.333333 0.408177 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.908177 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.666667 0.333333 0.663427 Ir\n0.333333 0.666667 0.336573 Ir\n0.333333 0.666667 0.163427 Ir\n0.666667 0.333333 0.836573 Ir\n0.173612 0.347225 0.414419 O\n0.173612 0.347225 0.085581 O\n0.826388 0.173612 0.914419 O\n0.491537 0.508463 0.250000 O\n0.173612 0.826388 0.414419 O\n0.983075 0.491537 0.750000 O\n0.347225 0.173612 0.914419 O\n0.826388 0.652775 0.585581 O\n0.173612 0.826388 0.085581 O\n0.508463 0.016925 0.750000 O\n0.826388 0.652775 0.914419 O\n0.508463 0.491537 0.750000 O\n0.347225 0.173612 0.585581 O\n0.652775 0.826388 0.414419 O\n0.826388 0.173612 0.585581 O\n0.491537 0.983075 0.250000 O\n0.652775 0.826388 0.085581 O\n0.016925 0.508463 0.250000 O\n",
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"energy_uncorrected": -17.51376993,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0013984,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.344000Z",
"spacegroup": 194
}
]
}