Geometry

Info

ID:	5793
ICSD:	33796
Name:	Hexacalcium iron(III) nitride
Comp.:	Ca6Fe1N5
Symm.:	P63/mcm(193)
Latt.:	hexagonal
Spin:	5.180
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands