• Formula : Na3CoO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.7345
    b = 5.8903
    c = 6.3503
    α = 64.538
    β = 89.279
    γ = 85.233
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.212
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 99580

Band structure with spin-orbit coupling