Geometry

Info

ID:

12996

ICSD:

656322

Name:

Niobium sulfide (1/3)

Comp.:

Nb1S3

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.000

Eg/Eg':

0.712/0.396 eV

me/mh:

-56.574/589.835

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands