Fe14Co4Mn2B3C2N2 (requested SG: P321 #150, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of Fe10Co5Si(NiB)2; eabovehull: 0.181454 eV/atom; predicted_stable: False
Fe10Co5Ni2B2Si (requested SG: P6/mmm #191, calculated SG: P1 #1, optimized: 388 steps, cell relaxed (isotropic))
Phase diagram of Fe8Co2B2Mo; eabovehull: 0.224544 eV/atom; predicted_stable: False
Fe8Co2MoB2 (requested SG: P6mm #183, calculated SG: P1 #1, optimized: 136 steps, cell relaxed (isotropic))
Phase diagram of AlFe10Co3B3C2; eabovehull: 0.257064 eV/atom; predicted_stable: False
Fe10Co3Al1B3C2 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 220 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.46 THz
Phase diagram of MnFe6Bi; eabovehull: 0.392019 eV/atom; predicted_stable: False
Phase diagram of Fe8Co4SiB2; eabovehull: 0.202426 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9075 eV; energy change = -5.3126 eV; symmetry: P6_3/mcm → C2/m
Fe8Co4B2Si (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 298 steps, cell relaxed (isotropic))
Phase diagram of Mn2Fe14Co4B3(CN)2; eabovehull: 0.656211 eV/atom; predicted_stable: False
Fe14Co4Mn2B3C2N2 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of Fe16Co4B3(CN)2; eabovehull: 0.328734 eV/atom; predicted_stable: False
Fe16Co4B3C2N2 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 239 steps, cell relaxed (isotropic))
Phase diagram of Fe8Co2B2C; eabovehull: 0.198576 eV/atom; predicted_stable: False
Fe8Co2B2C (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 107 steps, cell relaxed (isotropic))
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9063 eV; energy change = -5.3118 eV; symmetry: P6_3/mcm → C2/m
Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -116.0608 eV; energy change = -0.4659 eV; symmetry: P63/mcm → P63/mcm