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 = -0.00 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = 0.00 THz
Phase diagram of Ti(Fe5B)2; e_above_hull: 0.132824 eV/atom; predicted_stable: False
Phase diagram of Ti3(Fe2B)4; e_above_hull: 0.123232 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.68 THz
Phase diagram of MnFe3(NiBi)2; e_above_hull: 1.008349 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.79 THz
Phase diagram of Fe6Co2N; e_above_hull: 0.084074 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz
Fe6Co2N1C0 (requested SG: P6/mmm #191, calculated SG: Cm #8, optimized: 321 steps, cell relaxed (isotropic))
Phase diagram of Fe4CoCN; e_above_hull: 0.928166 eV/atom; predicted_stable: False
Fe5Co4B1 (requested space group: P6/mmm #191, optimized: 37 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 Fe12Co4CN; e_above_hull: 0.112657 eV/atom; predicted_stable: False
Fe12Co4N1C1 (requested space group: P1 #1, optimized: 169 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 Fe11Co5CN; e_above_hull: 0.183248 eV/atom; predicted_stable: False
Fe11Co5N1C1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 382 steps, cell relaxed (isotropic))
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.86 THz
Phase diagram of Fe13Co3N; e_above_hull: 0.206097 eV/atom; predicted_stable: False