• Formula : Ga3Fe
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.26
    b = 6.26
    c = 6.58
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 188
  • Band gap = 0.1042 eV
    Direct Gap = 0.344 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The system iron-gallium,
    Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 286, 141 (1965)

Band structure with spin-orbit coupling