Geometry

Info

ID:

2975

ICSD:

9930

Name:

Barium copper tetrafluoride

Comp.:

Ba1Cu1F4

Symm.:

 Cmc21(36)

Latt.:

 orthorhombic

Spin:

 3.957

Eg/Eg':

4.309/4.278 eV

me/mh:

-180.649/17.007

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