• Formula : Cs
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.011
    b = 3.011
    c = 4.855
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 18
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.898
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cs(VI): a new high-pressure polymorph of cesium above 72 GPa Locality: synthetic Sample: at P = 92 GPa Note: stable above P = 72 GPa Note: known as cesium-VI,
    Physical Review Letters 66, 2014 (1991)

Band structure with spin-orbit coupling