• Formula : CoBMo
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.767
    b = 3.251
    c = 6.649
    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 = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.231
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of the compounds Mo Co B, W Co B and W Fe B,
    Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 9, 327 (1968)

Band structure with spin-orbit coupling