• Formula : AlBMo
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.212
    b = 13.985
    c = 3.102
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.209
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Mo Al B,
    Monatshefte fuer Chemie (-108,1977) 97, 1472 (1966)

Band structure with spin-orbit coupling