Geometry

Info

ID:	2155
ICSD:	83386
Name:	Calcium diaurate(III)
Comp.:	Au2Ca1O4
Symm.:	I41/aZ(88)
Latt.:	tetragonal
Spin:	0.000
E_g/E_g':	1.729/1.696 eV
m_e/m_h:	63.125/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