Geometry

Info

ID:	1116
ICSD:	609727
Name:	Zirconium aluminide (5/3)
Comp.:	Al3Zr5
Symm.:	P63/mcm(193)
Latt.:	hexagonal
Spin:	0.890
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands