Crystal structure for Fe4Co4N2 | Space group: 6 (resolved from structure) | Generated from scratch using crystal structure prediction | Number of atoms: 10 | Generated: 2025-09-19 12:59:04
Phase diagram of Fe2Co2N; e_above_hull: 0.100092 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
describes the latest run using a new first-principles DFT calculator to measure magnetocrystalline anisotropy energy via the total energy difference method. More results will follow.