• Formula : Ga4Fe3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.091
    b = 7.666
    c = 7.866
    α = 90.0
    β = 106.66
    γ = 90.0
  • Number of atoms per primitive cell = 21
    Total number of electrons per primitive cell = 228
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.602
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures cristallines des phases Fe3 Ga4 et Cr3 Ga4,
    Acta Crystallographica B (24,1968-38,1982) 31, 477 (1975)

Band structure with spin-orbit coupling