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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": "Rb4 Yb8 Cl28\n1.0\n0.000000 -7.542070 0.000000\n-10.596840 0.000000 0.000000\n0.000000 0.000000 -14.162090\nRb Yb Cl\n4 8 28\ndirect\n0.750000 0.924058 0.225519 Rb\n0.250000 0.075942 0.774481 Rb\n0.250000 0.575942 0.725519 Rb\n0.750000 0.424058 0.274481 Rb\n0.750000 0.768496 0.570881 Yb\n0.250000 0.231504 0.429119 Yb\n0.250000 0.731504 0.070881 Yb\n0.750000 0.268496 0.929119 Yb\n0.750000 0.790838 0.828158 Yb\n0.250000 0.209162 0.171842 Yb\n0.250000 0.709162 0.328158 Yb\n0.750000 0.290838 0.671842 Yb\n0.000637 0.836304 0.697383 Cl\n0.999363 0.163696 0.302617 Cl\n0.999363 0.663696 0.197383 Cl\n0.500637 0.163696 0.302617 Cl\n0.000637 0.336304 0.802617 Cl\n0.499363 0.836304 0.697383 Cl\n0.499363 0.336304 0.802617 Cl\n0.500637 0.663696 0.197383 Cl\n0.002118 0.847538 0.439477 Cl\n0.997882 0.152462 0.560523 Cl\n0.997882 0.652462 0.939477 Cl\n0.502118 0.152462 0.560523 Cl\n0.002118 0.347538 0.060523 Cl\n0.497882 0.847538 0.439477 Cl\n0.497882 0.347538 0.060523 Cl\n0.502118 0.652462 0.939477 Cl\n0.998213 0.896513 0.978277 Cl\n0.001787 0.103487 0.021723 Cl\n0.001787 0.603487 0.478277 Cl\n0.498213 0.103487 0.021723 Cl\n0.998213 0.396513 0.521723 Cl\n0.501787 0.896513 0.978277 Cl\n0.501787 0.396513 0.521723 Cl\n0.498213 0.603487 0.478277 Cl\n0.750000 0.568895 0.692419 Cl\n0.250000 0.431105 0.307581 Cl\n0.250000 0.931105 0.192419 Cl\n0.750000 0.068895 0.807581 Cl\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.85528050999999,
"band_gap": 1.8873,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.076000Z",
"spacegroup": 5
}
]
}