• Formula : Cs
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.879
    b = 6.443
    c = 6.389
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.573
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of cesium-V Locality: synthetic Sample: at P = 19.6 GPa Note: phase V,
    Physical Review Letters 81, 2711 (1998)

Band structure with spin-orbit coupling