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 = -1.92 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz
Phase diagram of TiMn2(FeB)4; eabovehull: 0.291361 eV/atom; predicted_stable: False
Fe4Mn2B4Ti (requested SG: P-6m2 #187, calculated SG: P1 #1, optimized: 175 steps, cell relaxed (isotropic))
Phase diagram of MnFe4CoNiB4; eabovehull: 0.206623 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz
Phase diagram of Mn3(FeB)4; eabovehull: 0.299460 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.45 THz
Fe4Mn3B4 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 180 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Phase diagram of MnFe4(CoB2)2; eabovehull: 0.160934 eV/atom; predicted_stable: False
Phase diagram of Mn3(FeB)4; eabovehull: 0.288801 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
Fe4Mn3B4 (requested SG: P31m #157, calculated SG: P-62m #189, optimized: 158 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Phase diagram of Fe2CoB2; eabovehull: 0.296593 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
Phase diagram of MnFe4(NiB2)2; eabovehull: 0.210140 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.28 THz
Phase diagram of Mn3(FeB)4; eabovehull: 0.707083 eV/atom; predicted_stable: False