Hg6Sc2

MatHub3d-54283-Hg6Sc2

Basic properties

Property Value
Space group (194, "'P6_3/mmc'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -13.022
Total energy / atom (eV) -1.628

Lattice Parameters(from the source)

a, b, c (Å): 6.370 6.370 4.760
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 6.510 6.510 4.940
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Hg6Sc2
.
Property Value
Bulk-modulus 63.074 GPa

Density of States (DOS)







Electronic band structure (PBE)

Hg6Sc2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104343-Hg6Sc2