• Formula : Ca
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 2.615
    b = 2.615
    c = 2.615
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 1
    Total number of electrons per primitive cell = 10
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.233
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Phase transitions in alkaline earth metals under pressure Locality: synthetic Sample: P = 39 GPa,
    Physics Letters 100A, 191 (1984)

Band structure with spin-orbit coupling