• Formula : KCr3S5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 19.16
    b = 3.49
    c = 12.02
    α = 90.0
    β = 123.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.704
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 604340

Band structure with spin-orbit coupling