• Formula : Na4SnO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.8508
    b = 6.6297
    c = 5.9055
    α = 124.3
    β = 97.8
    γ = 99.5
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 2.2889 eV
    Direct Gap = 2.305 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zum aufbau von Na4[SnO4],
    European Journal of Solid State and Inorganic Chemistry 25, 119 (1988)

Band structure with spin-orbit coupling