• Formula : Ca
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.0
    b = 4.0
    c = 6.5
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.399
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The calcium-strontium metal phase system Locality: synthetic Sample: at T = 415 C,
    Journal of Physical Chemistry 62, 1446 (1958)

Band structure with spin-orbit coupling