Geometry

Info

ID:

5511

ICSD:

162923

Name:

Calcium titanate - HT

Comp.:

Ca1O3Ti1

Symm.:

 I4/mcm(140)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.232/None eV

me/mh:

-512.394/-113.357

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