Geometry

Info

ID:

2980

ICSD:

192060

Name:

Barium copper pyrophosphate

Comp.:

Ba1Cu1O7P2

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

1.915

Eg/Eg':

4.218/4.207 eV

me/mh:

-24.455/7839.459

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