Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -2648.0864 eV; energy change = -32.1858 eV; symmetry: P1 → P1
Created by route
Relax a crystal structure with animation
Co5Fe2Mn5 (P6-mmm) - doped C 1.0%
Interstitially doped with C at ~1.0%; supercell [3, 3, 3]; dopant atoms = 3
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