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{
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{
"id": "mp-1214974",
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{
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{
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{
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"structure_string": "Al2 Cu2 Se4\n1.0\n-2.821338 2.821338 5.571397\n2.821338 -2.821338 5.571397\n2.821338 2.821338 -5.571397\nAl Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.126837 0.125000 0.501837 Se\n0.875000 0.376837 0.001837 Se\n0.375000 0.873163 0.998163 Se\n0.623163 0.625000 0.498163 Se\n",
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{
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{
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{
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"structure_string": "Al2 Cu3 O6\n1.0\n1.440373 5.713200 0.000000\n-1.440373 5.713200 0.000000\n0.000000 4.505220 7.595049\nAl Cu O\n2 3 6\ndirect\n0.334393 0.334393 0.827445 Al\n0.665607 0.665607 0.172555 Al\n0.000000 0.000000 0.000000 Cu\n0.664634 0.664634 0.670668 Cu\n0.335366 0.335366 0.329332 Cu\n0.794667 0.794667 0.726124 O\n0.481424 0.481424 0.343044 O\n0.145476 0.145476 0.036718 O\n0.854524 0.854524 0.963282 O\n0.518576 0.518576 0.656956 O\n0.205333 0.205333 0.273876 O\n",
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.70784103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.185000Z",
"spacegroup": 15
}
]
}