• Formula : GeAsSe
  • Space Group : Pnna (52)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.062
    b = 10.117
    c = 11.687
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 120
  • Band gap = 1.459 eV
    Direct Gap = 1.513 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ge As Se,
    Materials Research Bulletin 16, 1245 (1981)

Band structure with spin-orbit coupling