• Formula : Na2S2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.7702
    b = 6.7975
    c = 6.7292
    α = 116.779
    β = 96.089
    γ = 84.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 144
  • Band gap = 5.6454 eV
    Direct Gap = 5.752 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413049

Band structure with spin-orbit coupling