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{
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{
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{
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{
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{
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"structure_string": "B12 O2\n1.0\n4.391569 -2.696759 0.000000\n4.391569 2.696759 0.000000\n2.735553 0.000000 4.367510\nB O\n12 2\ndirect\n0.323721 0.798829 0.798829 B\n0.798829 0.798829 0.323721 B\n0.798829 0.323721 0.798829 B\n0.201171 0.676279 0.201171 B\n0.676279 0.201171 0.201171 B\n0.201171 0.201171 0.676279 B\n0.666837 0.997697 0.997697 B\n0.997697 0.997697 0.666837 B\n0.997697 0.666837 0.997697 B\n0.002303 0.333163 0.002303 B\n0.333163 0.002303 0.002303 B\n0.002303 0.002303 0.333163 B\n0.377733 0.377733 0.377733 O\n0.622267 0.622267 0.622267 O\n",
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{
"id": "mp-14232",
"created_at": "2022-09-04T14:45:37.089245Z",
"structure_string": "Li2 B2 O4\n1.0\n-2.116413 2.116413 3.296896\n2.116413 -2.116413 3.296896\n2.116413 2.116413 -3.296896\nLi B O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.719075 0.625000 0.594075 O\n0.375000 0.969075 0.094075 O\n0.875000 0.280925 0.905925 O\n0.030925 0.125000 0.405925 O\n",
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{
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -21.01337605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.154000Z",
"spacegroup": 221
}
]
}