• Formula : Cr4AgBiO14
  • Space Group : I4 (79)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.4944
    b = 8.4944
    c = 8.1313
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 166
  • Band gap = 1.9671 eV
    Direct Gap = 1.972 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 14234

Band structure with spin-orbit coupling