• Formula : Na4Ge2Se5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.074
    b = 8.098
    c = 10.657
    α = 73.44
    β = 70.84
    γ = 81.73
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 148
  • Band gap = 1.8507 eV
    Direct Gap = 1.960 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61401

Band structure with spin-orbit coupling