Geometry

Info

ID:

6429

ICSD:

172519

Name:

Niobium selenide trichloride

Comp.:

Cl3Nb1Se1

Symm.:

P12/c1(13)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

0.835/0.740 eV

me/mh:

29.475/-42.456

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands