• Formula : Na3CoO2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.401
    b = 9.401
    c = 4.645
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 224
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.295
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73211

Band structure with spin-orbit coupling