• Formula : NaHO
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.434
    b = 3.428
    c = 6.068
    α = 90.0
    β = 109.83
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 32
  • Band gap = 1.8213 eV
    Direct Gap = 1.821 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26833

Band structure with spin-orbit coupling