Co4Fe8N2 (MMD-456) - relaxed

Name: Co4Fe8N2 (MMD-456) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

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.cif file

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -112.7227 eV; energy change = -0.0173 eV; symmetry: P4mm → P4mm

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.html file
Phase diagram of Fe4Co2N; e_above_hull: 0.072125 eV/atom; predicted_stable: False
1mo
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
1mo