Geometry

Info

ID:	9001
ICSD:	40780
Name:	Potassium iron(III) selenide
Comp.:	Fe1K1Se2
Symm.:	C12/c1(15)
Latt.:	monoclinic
Spin:	10.753
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands