• Formula : RbSO4F
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.503
    b = 5.623
    c = 7.603
    α = 100.64
    β = 106.72
    γ = 93.22
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 3.4419 eV
    Direct Gap = 3.442 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 8275

Band structure with spin-orbit coupling