• Formula : K2GeSe3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.564
    b = 7.442
    c = 6.892
    α = 66.4
    β = 71.8
    γ = 74.6
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 1.7432 eV
    Direct Gap = 1.819 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 300233

Band structure with spin-orbit coupling