• Formula : SnO2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.7365
    b = 4.7365
    c = 3.201
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 1.1983 eV
    Direct Gap = 1.198 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Application of inverse pole figure to Rietveld refinement: III. Rietveld refinement of Sn O2 thin film using X-ray diffraction data,
    The Korean Journal of Ceramics 6, 354 (2000)

Band structure with spin-orbit coupling