• Formula : CsHIF7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.303
    b = 8.163
    c = 8.437
    α = 109.25
    β = 106.81
    γ = 92.15
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 4.706 eV
    Direct Gap = 4.783 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71581

Band structure with spin-orbit coupling