• Formula : CuAgF3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5802
    b = 5.5787
    c = 8.1018
    α = 89.623
    β = 90.928
    γ = 93.496
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.589
    Topological Z2 indices ν = (1;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174407

Band structure with spin-orbit coupling