• Formula : NaSi
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.62272
    b = 6.0823
    c = 9.62272
    α = 90.0
    β = 105.76357
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 1.0045 eV
    Direct Gap = 1.393 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174082

Band structure with spin-orbit coupling