• Formula : Na2Cu4S3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 15.63
    b = 3.86
    c = 10.33
    α = 90.0
    β = 107.6
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 0.1149 eV
    Direct Gap = 0.115 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2,
    Materials Research Bulletin 16, 1291 (1981)

Band structure with spin-orbit coupling