• Formula : CaGe2O5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.53
    b = 8.8
    c = 7.4
    α = 90.75
    β = 121.25
    γ = 91.05
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 96
  • Band gap = 2.9045 eV
    Direct Gap = 2.938 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur der Hoch- und der Tieftemperaturform von Ca Ge2 O5,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 144, 82 (1976)

Band structure with spin-orbit coupling