Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.47 THz
Phase diagram of Fe8Co6Ni4B; e_above_hull: 0.170974 eV/atom; predicted_stable: False
Fe8Co6Ni4B1 (requested SG: P3 #143, calculated SG: P1 #1, optimized: 154 steps, cell relaxed (isotropic))
Phase diagram of Fe4Co3Ni2B; e_above_hull: 0.655907 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.89 THz
Fe4Co3Ni2B1 (requested SG: P622 #177, calculated SG: P-62m #189, optimized: 85 steps, cell relaxed (isotropic))
Phase diagram of Mn3Fe5Co3N2; e_above_hull: 0.223183 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.02 THz
Fe5Co3Mn3N2 (requested SG: P2/m #10, calculated SG: P1 #1, optimized: 291 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.94 THz
Phase diagram of Mn2Fe5(CoN)2; e_above_hull: 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; e_above_hull: 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; e_above_hull: 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; e_above_hull: 0.078728 eV/atom; predicted_stable: False