• Formula : CaSnO3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.0
    b = 6.0
    c = 6.0
    α = 54.42
    β = 54.42
    γ = 54.42
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 3.4424 eV
    Direct Gap = 3.721 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~,
    Annales de Chimie (Paris) (Vol=Year) 1979, 559 (1979)

Band structure with spin-orbit coupling