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Formula : Ca
3
SnH
2
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 8.866
b = 11.371
c = 5.22
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 92
Band gap = 0.133 eV
Direct Gap = 0.133 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 165615
Band structure with spin-orbit coupling