• Formula : TlV2AgO6
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.736
    b = 10.227
    c = 5.8299
    α = 90.0
    β = 102.32
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 2.1923 eV
    Direct Gap = 2.201 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 201934

Band structure with spin-orbit coupling