• Formula : Co(BW)3
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.173
    b = 8.422
    c = 10.728
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 220
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.418
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des W3 Co B3 und der dazu isotypen Phasen Mo3 Co B3, Mo3 Ni B3 und W3 Ni B3,
    Monatshefte fuer Chemie (-108,1977) 100, 844 (1969)

Band structure with spin-orbit coupling