• Formula : CsHSO4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.3039
    b = 5.8099
    c = 5.4908
    α = 90.0
    β = 101.51
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 80
  • Band gap = 5.8881 eV
    Direct Gap = 5.889 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 24377

Band structure with spin-orbit coupling