• Formula : LiAsSe2
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 12.2872
    b = 5.5419
    c = 5.5533
    α = 90.0
    β = 113.117
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 40
  • Band gap = 0.6983 eV
    Direct Gap = 0.797 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 248116

Band structure with spin-orbit coupling