• Formula : NaGa(SiO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.5573
    b = 8.7019
    c = 5.2705
    α = 90.0
    β = 107.637
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 4.6082 eV
    Direct Gap = 4.699 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Low-Density Form of NaGaSi~2~O~6~,
    Acta Crystallographica C 51, 2476 (1995)

Band structure with spin-orbit coupling