Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phase diagram of CrFe6Co3N; e_above_hull: 1.340589 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -8.02 THz
Fe6Co3Cr1N1.5 (requested SG: P6/m #175, 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 = -2.74 THz
Phase diagram of MnFe4Co5N2; e_above_hull: 0.317240 eV/atom; predicted_stable: False
Fe4Co5Mn1N2 (requested SG: P-3m1 #164, calculated SG: P1 #1, optimized: 400 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 MnFe5(Co2N)2; e_above_hull: 0.117499 eV/atom; predicted_stable: False
Fe5Co4Mn1N2 (requested SG: Pmmm #47, calculated SG: P1 #1, optimized: 253 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.09 THz
Phase diagram of MnFe5(Co2N)2; e_above_hull: 0.179289 eV/atom; predicted_stable: False
Fe5Co4Mn1N2 (requested space group: P1 #1, optimized: 233 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 Ti2MnFe4Co3B2; e_above_hull: 0.237298 eV/atom; predicted_stable: False
Fe4Co3Mn1Ti2B2 (requested SG: P6 #168, calculated SG: P1 #1, optimized: 189 steps, cell relaxed (isotropic))
Phase diagram of Ti2MnFe4Co3B2; e_above_hull: 0.205637 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.27 THz
Fe4Co3Mn1Ti2B2 (requested SG: P6 #168, calculated SG: P1 #1, optimized: 237 steps, cell relaxed (isotropic))
Phase diagram of MnFe2Co2B; e_above_hull: 0.381694 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz