• Formula : LiCuO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.733
    b = 2.7176
    c = 5.622
    α = 90.0
    β = 120.68
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.4034 eV
    Direct Gap = 0.819 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74978

Band structure with spin-orbit coupling