Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
MatterGen generated FeGe2 crystal (space group: P1 #1, crystal system: triclinic)
Phase diagram of Mn2GaFe; e_above_hull: 0.049479 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
MatterGen generated Mn2GaFe crystal (space group: Pm #6, crystal system: monoclinic)
MatterGen generated Ta4ZnFe crystal (space group: P1 #1, crystal system: triclinic)
Phase diagram of MnGaFe2; e_above_hull: 0.091340 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.15 THz
Phase diagram of MnGaFe4; e_above_hull: 0.566652 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.62 THz
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1189 eV; energy change = -0.0148 eV; symmetry: Pmm2 → Pmm2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -43.0382 eV; energy change = -0.6357 eV; symmetry: P4/mmm → P4/mmm
MnGaFe4 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
MnGaFe2 (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of GaFe2Co; e_above_hull: 0.114171 eV/atom; predicted_stable: False
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Phase diagram of GaFe6Co; e_above_hull: 0.027048 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2868 eV; energy change = -0.0114 eV; symmetry: Pmm2 → Pmm2
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.2912 eV; energy change = -0.0126 eV; symmetry: P4/mmm → P4/mmm