tP68-ZnH2C7NO6 (Inverse)

tP68–ZnH2C7NO6 (Inverse)

../_images/structure123.jpg

Image of tP68–ZnH2C7NO6 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 2.83790517~\hat{z}\\\end{split}\]

Space Group: 94

Point Group of Structure: \(422\)

Structure DOI: https://doi.org/10.1021/ja060946u

Source: Crystallographic Open Database #4110802

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16121.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14121.png

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

Gap between Bands 10-11

Below is the band structure and isosurface of tP68–ZnH2C7NO6 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.24\) and filling fraction \(\phi = 0.268\).

../_images/band_diagram_b=108.jpg

Band Structure across first Brillouin Zone.

../_images/tP68-ZnH2C7NO6_r@gap_10-11.png

View along \(a_1\).