• Formula : Na4W(NO)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.875
    b = 5.906
    c = 8.857
    α = 82.78
    β = 71.96
    γ = 68.78
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 172
  • Band gap = 1.9041 eV
    Direct Gap = 1.976 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73101

Band structure with spin-orbit coupling