@mmoderwell

Fe70Co20N10 (requested SG: P6/mcc #192, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

Phase diagram of Fe6Co2N; e_above_hull: 0.253307 eV/atom; predicted_stable: False

Phase diagram of Fe6Co2N; e_above_hull: 0.095075 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz

Fe12Co4N2 (requested SG: P-43m #215, calculated SG: P1 #1, optimized: 166 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz

Fe12Co4N2 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 172 steps, cell relaxed (isotropic))

Phase diagram of Fe6Co2N; e_above_hull: 0.087455 eV/atom; predicted_stable: False

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

Fe12Co4N2 (requested SG: P-4m2 #115, calculated SG: Amm2 #38, optimized: 254 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 Fe6Co2N; e_above_hull: 0.158803 eV/atom; predicted_stable: False

Fe12Co4N2 (requested SG: P42/mnm #136, calculated SG: P1 #1, optimized: 256 steps, cell relaxed (isotropic))

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz

Phase diagram of Fe6Co2N; e_above_hull: 0.093400 eV/atom; predicted_stable: False

Fe12Co4N2 (requested SG: P42/mmc #131, calculated SG: C2 #5, optimized: 268 steps, cell relaxed (isotropic))

Phase diagram of Fe6Co2N; e_above_hull: 0.097882 eV/atom; predicted_stable: False

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

Fe12Co4N2 (requested SG: P42/n #86, calculated SG: P1 #1, optimized: 186 steps, cell relaxed (isotropic))

Phase diagram of Fe6Co2N; e_above_hull: 0.082400 eV/atom; predicted_stable: False