• Formula : Al4Mo
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.255
    b = 17.768
    c = 5.225
    α = 90.0
    β = 100.88
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.622
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 58000

Band structure with spin-orbit coupling