• Formula : Sr2Zn2As3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.212
    b = 4.2754
    c = 11.955
    α = 90.0
    β = 126.271
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 118
  • Band gap = 0.1356 eV
    Direct Gap = 0.139 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary Arsenides A2Zn2As3 (A = Sr, Eu) and Their Stuffed Derivatives A2Ag2ZnAs3,
    Inorganic Chemistry 51, 2621 (2012)

Band structure with spin-orbit coupling