Geometry

Info

ID:

4837

ICSD:

27138

Name:

Sodium isocyanate

Comp.:

C1N1Na1O1

Symm.:

 R3mR(160)

Latt.:

 rhombohedral

Spin:

 0.000

Eg/Eg':

4.660/4.522 eV

me/mh:

32.469/-132.740

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