Ca1Pd5

MatHub3d-24951-Ca1Pd5

Basic properties

Property Value
Space group (191, "'P6/mmm'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -20.413
Total energy / atom (eV) -3.402

Lattice Parameters(from the source)

a, b, c (Å): 5.150 5.150 4.220
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.250 5.250 4.430
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Ca1Pd5
.
Property Value
Bulk-modulus 110.374 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ca1Pd5
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-106357-Ca1Pd5