• Formula : Li2CdSnS4
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 7.9555
    b = 6.9684
    c = 6.4886
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 2.0977 eV
    Direct Gap = 2.098 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li2CdGeS4 and Li2CdSnS4,
    Inorganic Chemistry 48, 7516 (2009)

Band structure with spin-orbit coupling