Fe4N - relaxed - 3x3x3 supercell
Supercell 3x3x3 of Fe4N (Space group: P4/mmm, 432 symmetry operations)
Fe4N - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.9630 eV; energy change = -0.0786 eV; symmetry: P4/mmm → P4/mmm
4mo
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