Geometry

Info

ID:

3447

ICSD:

97762

Name:

Dibarium copper disilicate - beta

Comp.:

Ba2Cu1O7Si2

Symm.:

 P-421m(113)

Latt.:

 tetragonal

Spin:

 1.853

Eg/Eg':

3.572/3.394 eV

me/mh:

35.374/290.260

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands