Br4C20O20Re4

MatHub3d-17536-Br4C20O20Re4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 2.50
Total energy (eV) -363.016
Total energy / atom (eV) -7.563

Lattice Parameters(from the source)

a, b, c (Å): 11.900 11.660 6.190
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 12.470 12.040 6.440
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -0.088
p_type (eV): 2.333

Energy and volume

Br4C20O20Re4
.
Property Value
Bulk-modulus 96.516 GPa

Density of States (DOS)







Electronic band structure (PBE)

Br4C20O20Re4
  
Property Value
Band gap 2.50 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 2.00

Data source

Property Value
Source icsd-1039-Br4C20O20Re4