Phase diagram of Fe4CoCN; eabovehull: 0.928166 eV/atom; predicted_stable: False

Fe5Co4B1 (requested space group: P6/mmm #191, optimized: 37 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.03 THz

Phase diagram of Fe12Co4CN; eabovehull: 0.112657 eV/atom; predicted_stable: False

Fe12Co4N1C1 (requested space group: P1 #1, optimized: 169 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.03 THz

Phase diagram of Fe11Co5CN; eabovehull: 0.183248 eV/atom; predicted_stable: False

Fe11Co5N1C1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 382 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.86 THz

Phase diagram of Fe13Co3N; eabovehull: 0.206097 eV/atom; predicted_stable: False

Fe13Co3N1 (requested SG: P622 #177, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.89 THz

Phase diagram of Fe10Co5N2; eabovehull: 0.612570 eV/atom; predicted_stable: False

Fe10Co5N2 (requested SG: P6mm #183, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

Phase diagram of Fe12Co4N; eabovehull: 0.223703 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz

Fe12Co4N1 (requested SG: P-31m #162, calculated SG: P1 #1, optimized: 339 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.25 THz

Phase diagram of Fe4Co4N; eabovehull: 0.173983 eV/atom; predicted_stable: False

Fe4Co4N1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 165 steps, cell relaxed (isotropic))