• Formula : Cd2GaAgS4
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.1395
    b = 6.9394
    c = 6.6014
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 1.0918 eV
    Direct Gap = 1.092 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of the quaternary phase silver dicadmium gallium tetrasulfide, AgCd~2~GaS~4~,
    Acta Crystallographica Section E 61, i91 (2005)

Band structure with spin-orbit coupling