• Formula : Li4CO4
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.51852
    b = 3.99771
    c = 7.84632
    α = 90.0
    β = 152.1527
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 40
  • Band gap = 6.7435 eV
    Direct Gap = 6.759 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245405

Band structure with spin-orbit coupling