• Formula : NaNO3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.075
    b = 5.075
    c = 17.07
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 3.1867 eV
    Direct Gap = 3.486 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Position and thermal parameters of oxygen atoms in sodium nitrate,
    Acta Crystallographica (1,1948-23,1967) 23, 455 (1967)

Band structure with spin-orbit coupling