• Formula : Na3Ag3W2(OF)6
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.741466
    b = 5.741466
    c = 28.63794
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 194
  • Band gap = 2.4158 eV
    Direct Gap = 2.564 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 262534

Band structure with spin-orbit coupling