Geometry

Info

ID:

4675

ICSD:

31100

Name:

Calcium cyanamide

Comp.:

C1Ca1N2

Symm.:

R-3mR(166)

Latt.:

rhombohedral

Spin:

0.000

Eg/Eg':

4.390/3.615 eV

me/mh:

-259.846/-94.537

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands