Geometry

Info

ID:

5513

ICSD:

193648

Name:

Calcium titanate

Comp.:

Ca1O3Ti1

Symm.:

Pbnm(62)

Latt.:

orthorhombic

Spin:

0.000

Eg/Eg':

2.316/None eV

me/mh:

-89.760/191.862

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands