• Formula : Na2GeSe3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.097
    b = 16.068
    c = 6.073
    α = 90.0
    β = 113.69
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 160
  • Band gap = 1.7979 eV
    Direct Gap = 1.798 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 49003

Band structure with spin-orbit coupling