• Formula : CsAgBr2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 19.9
    b = 4.5767
    c = 5.9487
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 2.0615 eV
    Direct Gap = 2.492 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternaere Bromide mit Lithium und Silber: Rb Li Br2, Cs Li Br2 und Cs Ag Br2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 513, 15 (1984)

Band structure with spin-orbit coupling