Geometry

Info

ID:

11708

ICSD:

201940

Name:

Dilanthanum niccolate

Comp.:

La2Ni1O4

Symm.:

 PbanS(50)

Latt.:

 orthorhombic

Spin:

 0.001

Eg/Eg':

1.841/1.658 eV

me/mh:

11.127/-22.844

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