Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phase diagram of Nb4Co14Bi; eabovehull: 0.277027 eV/atom; predicted_stable: False
Supercell 2x2x2 of Nb4Co14Bi (Space group: P4/m, 64 symmetry operations)
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -7.37 THz
high above the hull
Phase diagram of Nb5Co25Bi2; eabovehull: 0.178932 eV/atom; predicted_stable: False
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -8.58 THz
Phase diagram of Nb3Co6Bi; eabovehull: 0.190533 eV/atom; predicted_stable: False
74meV above the hull
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.23 THz
71 meV above hull
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.16 THz
Phase diagram of ZrFe7Bi; eabovehull: 0.179574 eV/atom; predicted_stable: False
Supercell 2x2x2 of ZrFe7Bi (Space group: I4mm, 64 symmetry operations)
132 meV above hull
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -6.54 THz
Phase diagram of ZrFe18Bi; eabovehull: 0.123374 eV/atom; predicted_stable: False
Supercell 2x2x2 of ZrFe18Bi (Space group: P4/m, 64 symmetry operations)
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -18.25 THz
Phase diagram of Al7Fe16Bi; eabovehull: 0.118529 eV/atom; predicted_stable: False