Geometry

Info

ID:

6549

ICSD:

12111

Name:

Comp.:

Cl5O4Re2

Symm.:

 P1(1)

Latt.:

 triclinic

Spin:

 0.833

Eg/Eg':

0.261/0.226 eV

me/mh:

114.964/184.337

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