• Formula : CsRe
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.73
    b = 5.98
    c = 14.26
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.325
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystalstructure of cesium-, thallium- and rubidiumperrhenates _cod_database_code 1010065,
    Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen 36, 523 (1933)

Band structure with spin-orbit coupling