Geometry

Info

ID:

3252

ICSD:

253245

Name:

Barium titanate - BT

Comp.:

Ba1O3Ti1

Symm.:

 P4mm(99)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.559/2.127 eV

me/mh:

7.682/-33.350

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands