Geometry

Info

ID:

2780

ICSD:

249215

Name:

Hexalithium copper(II) tetraborate

Comp.:

B4Cu1Li6O10

Symm.:

P1(1)

Latt.:

triclinic

Spin:

0.962

Eg/Eg':

1.752/1.705 eV

me/mh:

247.312/-562.261

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