Geometry

Info

ID:

5196

ICSD:

87888

Name:

Iron mercury tetrathiocyanate

Comp.:

C4Fe1Hg1N4S4

Symm.:

 I-4(82)

Latt.:

 tetragonal

Spin:

 7.431

Eg/Eg':

2.572/2.363 eV

me/mh:

431.531/81.579

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