• Formula : B2W
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.02
    b = 3.02
    c = 3.05
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.751
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Tungsten diboride: Preparation and structure,
    Science 151, 75 (1966)

Band structure with spin-orbit coupling