• Formula : Li4CO4
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.55195
    b = 6.33513
    c = 3.85795
    α = 90.0
    β = 95.13547
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 40
  • Band gap = 4.4214 eV
    Direct Gap = 4.983 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245392

Band structure with spin-orbit coupling