Geometry

Info

ID:

3582

ICSD:

71209

Name:

Tribarium calcium diruthenium(V) oxide

Comp.:

Ba3Ca1O9Ru2

Symm.:

P63/mmc(194)

Latt.:

hexagonal

Spin:

7.128

Eg/Eg':

0.510/0.459 eV

me/mh:

80.200/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