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Formula : Ca(GePt)
2
Space Group :
P2_1 (4)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 4.376
b = 4.439
c = 9.628
α = 90.0
β = 91.85
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 76
Band gap = 0.0 eV
Direct Gap = 0.126 eV
Metallicity = 0.862
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 619327
Band structure with spin-orbit coupling
Wannier charge center (WCC) at six time-reversal invariant planes