• Formula : Na4CO4
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.09363
    b = 6.45189
    c = 4.45444
    α = 90.0
    β = 105.3293
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 64
  • Band gap = 3.6393 eV
    Direct Gap = 3.918 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245414

Band structure with spin-orbit coupling