Geometry

Info

ID:	3453
ICSD:	96020
Name:	Yttrium barium copper oxide (1/2/3/6.5)
Comp.:	Ba2Cu3O6.5Y1
Symm.:	Pmmm(47)
Latt.:	orthorhombic
Spin:	0.000
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands