• Formula : AuSe
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.12
    b = 4.12
    c = 5.39
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.857
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the crystal structure of Au Se alloy phase,
    Zeitschrift fuer Metallkunde 63, 158 (1972)

Band structure with spin-orbit coupling