Geometry

Info

ID:

6384

ICSD:

239557

Name:

Thallium copper trichloride

Comp.:

Cl3Cu1Tl1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

3.613

Eg/Eg':

0.843/0.802 eV

me/mh:

657.400/-19.088

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