Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Fe4Mn3B4 (requested SG: P3m1 #156, calculated SG: P1 #1, optimized: 197 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz
Phase diagram of CrFe7Co2NiB4; eabovehull: 0.179452 eV/atom; predicted_stable: False
Phase diagram of Mn2Fe3CoNiB4; eabovehull: 0.242872 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 CrFe7Co2NiB4; eabovehull: 0.226393 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Fe7Co2Cr1Ni1B4 (requested SG: P-1 #2, calculated SG: P1 #1, optimized: 173 steps, cell relaxed (isotropic))
Phase diagram of MnCr2(FeB)4; eabovehull: 0.651686 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.28 THz
Phase diagram of MnFe4(CoB2)2; eabovehull: 0.261818 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.23 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -28.59 THz
Phase diagram of Mn3(FeB)4; eabovehull: 1.093942 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Phase diagram of MnCr2(FeB)4; eabovehull: 0.248975 eV/atom; predicted_stable: False
Phase diagram of Mn3(FeB)4; eabovehull: 0.241066 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Fe4Mn3B4 (requested SG: P422 #89, calculated SG: P-1 #2, optimized: 151 steps, cell relaxed (isotropic))
Phase diagram of MnCr(FeB)4; eabovehull: 0.795785 eV/atom; predicted_stable: False