Geometry

Info

ID:

7977

ICSD:

194793

Name:

Copper phosphorus dinitride

Comp.:

Cu1N2P1

Symm.:

 I-42d(122)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.063/1.838 eV

me/mh:

5.754/204.533

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands