• Formula : Co2B
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.016
    b = 5.016
    c = 4.22
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.445
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Some aspects of the crystal chemistry of borides, carbo-borides and silicides if the transition metals,
    Anisotropy in single-crystal refractory compounds, Proceedings of an international symposium 1, 3 (1968)

Band structure with spin-orbit coupling