@mmoderwell

16 generated crystal structures with magnetic density 0.13

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)

Phase diagram of FeCoB; e_above_hull: 0.016309 eV/atom; predicted_stable: True

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -184.4195 eV; energy change = -0.0193 eV; symmetry: Fmmm → Fmmm

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -184.6088 eV; energy change = -0.0207 eV; symmetry: Amm2 → Amm2

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7651 eV; energy change = -0.0401 eV; symmetry: Imm2 → Imm2

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8209 eV; energy change = -0.0001 eV; symmetry: I4/mmm → I4/mmm

Fe3Ge (space group: I4/mmm #139, crystal system: tetragonal, point group: 4/mmm)

16 generated crystal structures for the chemical system Fe-Co-B

Phase diagram of Fe12Co4B3; e_above_hull: 1.230313 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -129.8927 eV; energy change = -16.1968 eV; symmetry: P4/mmm → P4/mmm

Fe12Co4B (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.9678 eV; energy change = -179.0220 eV; symmetry: P6/mmm → P1

Fe12Co6B (space group: P6/mmm #191, crystal system: hexagonal, point group: 6/mmm)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.2010 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

Fe2BiNi (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)