• Formula : Cu3As
  • Space Group : P-3c1 (165)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.088
    b = 7.088
    c = 7.232
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 228
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.387
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Cu3 As and Cu3 P,
    Arkiv foer Kemi, Mineralogi och Geologi, A 12, 1 (1938)

Band structure with spin-orbit coupling