• Formula : Li2O2
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.549
    b = 3.549
    c = 4.334
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 18
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.751
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Lithiumhydroxyd. _cod_database_code 1010301,
    Zeitschrift fur Physikalische Chemie, Abteilung B: Chemie der 20, 65 (1933)

Band structure with spin-orbit coupling