• Formula : Ba2Bi2O5
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.3412
    b = 7.5793
    c = 6.0722
    α = 90.0
    β = 99.187
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 1.8699 eV
    Direct Gap = 2.004 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69864

Band structure with spin-orbit coupling