hP5-Zn7O6 (Direct)

hP5–Zn₇O₆ (Direct)

Image of hP5–Zn₇O₆ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= \sqrt{3}/\sqrt{4}~\hat{x} - 1/2~\hat{y}\\ a_2 &= \sqrt{3}/\sqrt{4}~\hat{x} + 1/2~\hat{y}\\ a_3 &= 1.6021621572~\hat{z}\\\end{split}\]

Space Group: 156

Point Group of Structure: \(3m\)

Structure DOI: https://doi.org/10.1134/S1063774513020119

Source: Inorganic Crystallographic Database #290322

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

Gap Atlas for \(\varepsilon\) = 16 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 14\)

Gap Atlas for \(\varepsilon\) = 14 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 12\)

Gap Atlas for \(\varepsilon\) = 12 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 10\)

Gap Atlas for \(\varepsilon\) = 10 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 15-16

Below is the band structure and isosurface of hP5–Zn₇O₆ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.28\) and filling fraction \(\phi = 0.297\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 18-19

Below is the band structure and isosurface of hP5–Zn₇O₆ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.26\) and filling fraction \(\phi = 0.236\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 19-20

Below is the band structure and isosurface of hP5–Zn₇O₆ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.23\) and filling fraction \(\phi = 0.161\).

Band Structure across first Brillouin Zone.

View along \(a_1\).