• Formula : Na4TlAu
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.453
    b = 10.006
    c = 23.387
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.653
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 107428

Band structure with spin-orbit coupling