Geometry

Info

ID:	3423
ICSD:	163501
Name:	Dibarium tricopper dichloride tetraoxide
Comp.:	Ba2Cl2Cu3O4
Symm.:	I4/mmm(139)
Latt.:	tetragonal
Spin:	1.042
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands