Hg6Th2

MatHub3d-54291-Hg6Th2

Basic properties

Property Value
Space group (194, "'P6_3/mmc'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -17.999
Total energy / atom (eV) -2.250

Lattice Parameters(from the source)

a, b, c (Å): 6.720 6.720 4.900
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 6.840 6.840 5.040
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Hg6Th2
.
Property Value
Bulk-modulus 73.777 GPa

Density of States (DOS)







Electronic band structure (PBE)

Hg6Th2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104354-Hg6Th2