• Formula : RbHSO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.6139
    b = 5.6792
    c = 10.9639
    α = 90.0
    β = 97.399
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 1.7316 eV
    Direct Gap = 1.779 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425888

Band structure with spin-orbit coupling