• Formula : K4SnO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.48
    b = 6.51
    c = 9.7
    α = 71.82
    β = 99.89
    γ = 113.13
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 2.5879 eV
    Direct Gap = 2.661 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de l'orthostannate de potassium K4 Sn O4,
    Acta Crystallographica B (24,1968-38,1982) 31, 511 (1975)

Band structure with spin-orbit coupling