• Formula : KCuS
  • Space Group : P2_1cn (33)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.66
    b = 6.2
    c = 5.32
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 1.8268 eV
    Direct Gap = 1.849 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 49008

Band structure with spin-orbit coupling