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{
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{
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"structure_string": "Li4 Cr6 Fe2 O16\n1.0\n5.171775 -0.055659 -0.012683\n0.771438 7.635579 0.022139\n2.555263 0.825664 7.115278\nLi Cr Fe O\n4 6 2 16\ndirect\n0.001474 0.001724 0.994809 Li\n0.996182 0.505470 0.500146 Li\n0.003982 0.243749 0.250123 Li\n0.997547 0.748063 0.756140 Li\n0.484686 0.814628 0.076791 Cr\n0.515139 0.435585 0.186799 Cr\n0.484704 0.314399 0.563023 Cr\n0.516599 0.186108 0.935103 Cr\n0.483852 0.563960 0.814491 Cr\n0.515267 0.935737 0.672510 Cr\n0.488067 0.060535 0.313996 Fe\n0.511590 0.689336 0.436810 Fe\n0.279288 0.035090 0.151843 O\n0.306435 0.395401 0.028203 O\n0.302350 0.642798 0.287323 O\n0.282633 0.276765 0.395788 O\n0.295127 0.895582 0.518929 O\n0.278199 0.536803 0.643845 O\n0.312331 0.144781 0.773033 O\n0.721107 0.213093 0.106293 O\n0.287784 0.785831 0.894150 O\n0.717134 0.473690 0.354179 O\n0.699001 0.107465 0.462429 O\n0.704391 0.854303 0.231339 O\n0.693447 0.354405 0.721736 O\n0.721459 0.715227 0.598145 O\n0.712402 0.964418 0.855315 O\n0.687824 0.605059 0.976708 O\n",
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{
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.77821327,
"band_gap": 0.8599000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.547000Z",
"spacegroup": 164
}
]
}