• Formula : Li4CO4
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.09241
    b = 4.46021
    c = 4.39575
    α = 90.0
    β = 104.62042
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 40
  • Band gap = 4.5571 eV
    Direct Gap = 4.885 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245393

Band structure with spin-orbit coupling