• Formula : CsAgSe4
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.855
    b = 9.09
    c = 13.885
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 1.2858 eV
    Direct Gap = 1.302 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and characterisation of M Ag Se4 (M = Rb, Cs),
    Journal of Chemical Crystallography 28, 705 (1998)

Band structure with spin-orbit coupling