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); no imaginary modes; min freq = -0.09 THz
Phase diagram of MnFe4(CoB2)2; eabovehull: 0.205103 eV/atom; predicted_stable: False
Phase diagram of Mn3(FeB)4; eabovehull: 0.671581 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.76 THz
Fe4Mn3B4 (requested SG: P3m1 #156, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of MnFe4CoNiB4; eabovehull: 0.175633 eV/atom; predicted_stable: False
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: 0.160997 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Phase diagram of Mn3(FeB)4; eabovehull: 0.289544 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Fe4Mn3B4 (requested SG: P6/mmm #191, calculated SG: P-62m #189, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of Mn3(FeB)4; eabovehull: 1.136077 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -5.08 THz
Fe4Mn3B4 (requested SG: P3 #143, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of MnFe4CoB4; eabovehull: 0.312062 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.70 THz
Phase diagram of Mn3(FeB)4; eabovehull: 0.292925 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.11 THz
Fe4Mn3B4 (requested SG: P-6m2 #187, calculated SG: P1 #1, optimized: 144 steps, cell relaxed (isotropic))