• Formula : Ti3PbO7
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.718
    b = 3.812
    c = 6.577
    α = 90.0
    β = 98.27
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 184
  • Band gap = 2.3353 eV
    Direct Gap = 2.681 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2104

Band structure with spin-orbit coupling