Geometry

Info

ID:

5091

ICSD:

171332

Name:

Selenocyanogen

Comp.:

C2N2Se2

Symm.:

 P212121(19)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.280/2.199 eV

me/mh:

-228.608/333.819

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands