• Formula : CoBW
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.745
    b = 3.203
    c = 6.652
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 136
  • Band gap = 1.5852 eV
    Direct Gap = 0.022 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems,
    Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 5, 40 (1969)

Band structure with spin-orbit coupling