Geometry

Info

ID:

8088

ICSD:

82560

Name:

Thallium copper(I) zircon trisulfide

Comp.:

Cu1S3Tl1Zr1

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

0.712/None eV

me/mh:

-167.972/-4.018

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands