Geometry

Info

ID:

5309

ICSD:

245840

Name:

Calcium chromate(IV) (1/1)

Comp.:

Ca1Cr1O3

Symm.:

 Pbnm(62)

Latt.:

 orthorhombic

Spin:

 7.909

Eg/Eg':

0.844/0.695 eV

me/mh:

1632.605/200.412

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