• Formula : Ca(PtO2)2
  • Space Group : P4_2/mmc (131)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.7786
    b = 5.7786
    c = 5.5989
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.364
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 6159

Band structure with spin-orbit coupling