• Formula : NaV(SiO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.6339
    b = 8.7413
    c = 5.296
    α = 90.0
    β = 106.905
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.186
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    NaVSi~2~O~6~,
    Acta Crystallographica Section C 50, 1652 (1994)

Band structure with spin-orbit coupling