• Formula : Ag3As
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.124
    b = 6.124
    c = 6.124
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.286
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag3 XO4). _cod_database_code 1010494,
    Zeitschrift fur Kristallographie 62, 529 (1925)

Band structure with spin-orbit coupling