• Formula : K3GeSe3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.076
    b = 12.851
    c = 8.48
    α = 90.0
    β = 116.76
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 98
  • Band gap = 1.988 eV
    Direct Gap = 2.044 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 47112

Band structure with spin-orbit coupling