Geometry

Info

ID:

8735

ICSD:

71039

Name:

Tetrafluorocyclotetraazatetrathiene

Comp.:

F4N4S4

Symm.:

 P-421c(114)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

3.433/3.395 eV

me/mh:

-2733.128/66.367

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands