• Formula : Cr2Ag2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.968
    b = 7.148
    c = 6.544
    α = 110.82
    β = 96.11
    γ = 91.05
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 184
  • Band gap = 1.4107 eV
    Direct Gap = 1.484 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure du dichromate d'argent: Ag~2~ Cr~2~ O~7~,
    Acta Crystallographica B (24,1968-38,1982) 34, 3335 (1978)

Band structure with spin-orbit coupling