@mmoderwell
Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Phase diagram of Fe4NiBi; e_above_hull: 4.419446 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -17.0334 eV; energy change = -0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe4NiBi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.94 THz
Phase diagram of Fe4CoNiPt; e_above_hull: 0.334216 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -51.1571 eV; energy change = -0.0616 eV; symmetry: P4/mmm → P4/mmm
Fe4CoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.0913 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
FeCoNiPt (space group: Pm #6, crystal system: monoclinic, point group: m)
FeCoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
FeCoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -225.8460 eV; energy change = -171.9141 eV; symmetry: Fm-3m → P1
FeCoNiPt (space group: Fm-3m #225, crystal system: cubic, point group: m-3m)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.0913 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
FeCoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Supercell 3x3x3 of AlFe2Co (Space group: Pmm2, 108 symmetry operations)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -142.8136 eV; energy change = -0.0201 eV; symmetry: C2/m → C2/m