Fe6Ni2B_714 - relaxed - 3x3x3 supercell
Supercell 3x3x3 of Fe6Ni2B (Space group: I4/mmm, 864 symmetry operations)
Fe6Ni2B_714 - relaxed
.cif fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -136.7751 eV; energy change = -4.1985 eV; symmetry: I4/mmm → I4/mmm
1mo
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