• Formula : Co3B
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.408
    b = 5.225
    c = 5.211
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 216
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.208
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of Ni3 B and Co3 B,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 12, 658 (1958)

Band structure with spin-orbit coupling