• Formula : Cu3As4
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.54
    b = 13.45
    c = 13.77
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.964
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 41169

Band structure with spin-orbit coupling