Geometry

Info

ID:

6615

ICSD:

408645

Name:

Niobium chloride (3/8)

Comp.:

Cl8Nb3

Symm.:

 P-3m1(164)

Latt.:

 hexagonal

Spin:

 1.638

Eg/Eg':

0.662/0.556 eV

me/mh:

-167.718/87.957

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands