• Formula : Ca2SnO4
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.75379
    b = 9.7016
    c = 3.26641
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 116
  • Band gap = 3.0356 eV
    Direct Gap = 3.056 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation, crystal structure, and photoluminescence of Ca2 Sn O4:Eu(3+), Y(3+),
    Journal of Solid State Chemistry 181, 2559 (2008)

Band structure with spin-orbit coupling