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{
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{
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{
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{
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"structure_string": "Ta4 Cr2 B4\n1.0\n5.928495 0.000000 0.000000\n0.000000 5.928495 0.000000\n0.000000 0.000000 3.251432\nTa Cr B\n4 2 4\ndirect\n0.679834 0.179834 0.500000 Ta\n0.320166 0.820166 0.500000 Ta\n0.179834 0.320166 0.500000 Ta\n0.820166 0.679834 0.500000 Ta\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.112702 0.612702 0.000000 B\n0.887298 0.387298 0.000000 B\n0.612702 0.887298 0.000000 B\n0.387298 0.112702 0.000000 B\n",
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{
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{
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"formula_full": "Li2 Cr1 Cu1 O4",
"formula_reduced": "Li2CrCuO4",
"formula_anonymous": "ABC2D4",
"energy": -52.56526796,
"energy_per_atom": -6.570658495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.81826796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.177000Z",
"spacegroup": 10
}
]
}