• Formula : AgPb2Br5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.697
    b = 7.053
    c = 7.982
    α = 90.0
    β = 95.954
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 148
  • Band gap = 1.3513 eV
    Direct Gap = 1.385 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of Silver dilead pentabromide,
    Zeitschrift fuer Kristallographie (149,1979-) 191, 135 (1990)

Band structure with spin-orbit coupling