Geometry

Info

ID:

8517

ICSD:

76426

Name:

Yttrium oxide fluoride - alpha

Comp.:

F1O1Y1

Symm.:

P4/nmmS(129)

Latt.:

tetragonal

Spin:

0.000

Eg/Eg':

5.459/5.270 eV

me/mh:

12.681/13.428

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