Phase diagram of Mn2Fe5(CoN)2; eabovehull: 0.201027 eV/atom; predicted_stable: False
Fe5Co2Mn2N2 (requested SG: P4/mmm #123, calculated SG: Amm2 #38, optimized: 160 steps, cell relaxed (isotropic))
Phase diagram of Mn2Fe3CoN; eabovehull: 0.387383 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.19 THz
Fe6Co2Mn4N2 (requested SG: P4/mbm #127, calculated SG: Pm #6, optimized: 197 steps, cell relaxed (isotropic))
Phase diagram of Fe3CoN; eabovehull: 0.802309 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -5.77 THz
Fe3Co1N1 (requested space group: P4/mmm #123, optimized: 10 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.89 THz
Phase diagram of Fe3CoN; eabovehull: 0.078728 eV/atom; predicted_stable: False
Fe3CoN (requested SG: P4mm #99, calculated SG: Pm-3m #221, optimized: 38 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Phase diagram of Fe9Co3BC2N; eabovehull: 0.310367 eV/atom; predicted_stable: False
Fe9Co3B1N1C2 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 244 steps, cell relaxed (isotropic))
Phase diagram of Fe7Co5N; eabovehull: 0.087244 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Fe7Co5N1 (requested SG: P312 #149, calculated SG: Cm #8, optimized: 182 steps, cell relaxed (isotropic))
Phase diagram of MnFe6Co2N; eabovehull: 0.300240 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Fe6Co2Mn1N1 (requested SG: P4mm #99, calculated SG: Amm2 #38, optimized: 128 steps, cell relaxed (isotropic))