Geometry

Info

ID:	12264
ICSD:	20227
Name:	Manganese(IV) oxide - alpha
Comp.:	Mn1O2
Symm.:	I4/m(87)
Latt.:	tetragonal
Spin:	23.751
E_g/E_g':	1.291/1.233 eV
m_e/m_h:	None/-21.404

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