Geometry

Info

ID:	13522
ICSD:	173960
Name:	Zirconium dioxide
Comp.:	O2Zr1
Symm.:	Pbca(61)
Latt.:	orthorhombic
Spin:	0.000
E_g/E_g':	3.996/3.845 eV
m_e/m_h:	None/-24.259

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