• Formula : Na2TiSiO5
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.48
    b = 6.48
    c = 5.107
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 128
  • Band gap = 3.217 eV
    Direct Gap = 3.424 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sodium titanium silicate, Na2TiSiO5 Locality: synthetic Note: anisoU's from ICSD,
    Acta Crystallographica, Section B 34, 905 (1978)

Band structure with spin-orbit coupling