• Formula : CrPb2O5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 14.063
    b = 5.7035
    c = 7.1719
    α = 90.0
    β = 115.189
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 1.8045 eV
    Direct Gap = 2.012 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of dilead(II) oxide chromate(VI), Pb2O(CrO4),
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 225, 219 (2010)

Band structure with spin-orbit coupling