• Formula : Fe7W6
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.04
    b = 9.04
    c = 9.04
    α = 30.5
    β = 30.5
    γ = 30.5
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 224
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.581
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 634060

Band structure with spin-orbit coupling