Geometry

Info

ID:

6090

ICSD:

408774

Name:

Comp.:

Cl14Mo4O4Tl2

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 3.849

Eg/Eg':

2.578/2.548 eV

me/mh:

1176.756/2311.221

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