• Formula : B4W
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2
    b = 5.2
    c = 6.34
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.540
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Composition and crystallographic data for the highest boride of tungsten,
    Acta Crystallographica (1,1948-23,1967) 20, 313 (1966)

Band structure with spin-orbit coupling