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{
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{
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{
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"created_at": "2022-09-04T14:47:13.160429Z",
"structure_string": "Mg12 Fe2 Cu2\n1.0\n4.763290 0.000000 0.000000\n0.000000 6.089723 0.000000\n0.000000 0.000000 10.362660\nMg Fe Cu\n12 2 2\ndirect\n0.500000 0.748861 0.083645 Mg\n0.500000 0.251139 0.083645 Mg\n0.000000 0.752671 0.910397 Mg\n0.000000 0.247329 0.910397 Mg\n0.000000 0.500000 0.174102 Mg\n0.000000 0.500000 0.672721 Mg\n0.500000 0.248861 0.583645 Mg\n0.500000 0.751139 0.583645 Mg\n0.000000 0.252671 0.410397 Mg\n0.000000 0.747329 0.410397 Mg\n0.000000 0.000000 0.674102 Mg\n0.000000 0.000000 0.172721 Mg\n0.500000 0.500000 0.331900 Fe\n0.500000 0.000000 0.831900 Fe\n0.500000 0.500000 0.833198 Cu\n0.500000 0.000000 0.333198 Cu\n",
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{
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{
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"structure_string": "Na1 Mg14 C1\n1.0\n6.321152 0.000000 0.000000\n-3.160576 5.474277 0.000000\n0.000000 0.000000 10.028752\nNa Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.175004 0.837502 0.125000 Mg\n0.156240 0.828119 0.625000 Mg\n0.662498 0.324996 0.125000 Mg\n0.671881 0.343760 0.625000 Mg\n0.662498 0.837502 0.125000 Mg\n0.671881 0.828119 0.625000 Mg\n0.326454 0.173546 0.397263 Mg\n0.326454 0.173546 0.852737 Mg\n0.326454 0.652909 0.397263 Mg\n0.326454 0.652909 0.852737 Mg\n0.847091 0.173546 0.397263 Mg\n0.847091 0.173546 0.852737 Mg\n0.833333 0.666667 0.369764 Mg\n0.833333 0.666667 0.880236 Mg\n0.166667 0.333333 0.625000 C\n",
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{
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{
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -16.08905884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5287979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.209000Z",
"spacegroup": 216
}
]
}