Fe2CoAl (Pmm2) - relaxed

Fe2CoAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Supercell 3x3x3 of AlFe2Co (Space group: Pmm2, 108 symmetry operations)

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

Phase diagram of AlFe2Co; e_above_hull: 0.134595 eV/atom; predicted_stable: False

After ran the pipeline, we are left with a handful of our best candidates to continue validating. The next filter they need to pass is a decent magnetocrystalline anisotropy energy. Check out Will's