C7K4N7O2V1

MatHub3d-21097-C7K4N7O2V1

Basic properties

Property Value
Space group (5, "'C2'")
Magnetic True
Magnetic moment (μB) 4.02
Band gap (PBE) (eV) 0.55
Total energy (eV) -147.200
Total energy / atom (eV) -7.010

Lattice Parameters(from the source)

a, b, c (Å): 12.840 9.100 9.230
α, β, γ(°): 90.0 133.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.030 8.030 9.170
α, β, γ(°): 125.0 125.0 69.0

Deformation Potential

n_type (eV): -6.570
p_type (eV): -5.255

Energy and volume

C7K4N7O2V1
.
Property Value
Bulk-modulus 4744.704 GPa

Density of States (DOS)







Electronic band structure (PBE)

C7K4N7O2V1
  
Property Value
Band gap 0.55 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 0.00

Data source

Property Value
Source icsd-104000-C7K4N7O2V1