C8N12P4S8

MatHub3d-21917-C8N12P4S8

Basic properties

Property Value
Space group (2, "'P-1'")
Magnetic False
Band gap (PBE) (eV) 3.35
Total energy (eV) -225.488
Total energy / atom (eV) -7.046

Lattice Parameters(from the source)

a, b, c (Å): 8.020 8.100 9.940
α, β, γ(°): 99.0 104.0 95.0

Lattice Parameters(computed)

a, b, c (Å): 8.470 8.840 10.580
α, β, γ(°): 99.0 105.0 97.0

Deformation Potential

n_type (eV): -8.513
p_type (eV): -5.978

Energy and volume

C8N12P4S8
.
Property Value
Bulk-modulus 92.775 GPa

Density of States (DOS)







Electronic band structure (PBE)

C8N12P4S8
  
Property Value
Band gap 3.35 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-10389-C8N12P4S8