Geometry

Info

ID:

3248

ICSD:

100464

Name:

Barium titanate

Comp.:

Ba1O3Ti1

Symm.:

R3mR(160)

Latt.:

rhombohedral

Spin:

0.000

Eg/Eg':

2.951/2.577 eV

me/mh:

84.215/-215.397

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands