• Formula : K2Y4Cu4Se9
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 14.245
    b = 4.102
    c = 16.432
    α = 90.0
    β = 109.4
    γ = 90.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 160
  • Band gap = 0.6382 eV
    Direct Gap = 0.850 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174375

Band structure with spin-orbit coupling