Fe2MnC_structure - relaxed - 2x2x2 supercell
Supercell 2x2x2 of MnFe2C (Space group: P2_1, 16 symmetry operations)
Fe2MnC_structure - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -137.7658 eV; energy change = -67.5111 eV; symmetry: Pnma → Imma
3mo
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