• Formula : CsCrI3
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.107
    b = 13.793
    c = 6.914
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 176
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.457
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23382

Band structure with spin-orbit coupling