cP16-H3N (Inverse)

cP16–H₃N (Inverse)

Image of cP16–H₃N (Inverse), generated by Vesta

Lattice Vectors:

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

Space Group: 198

Point Group of Structure: \(23\)

Structure DOI: https://doi.org/10.1021/jp970580v

Source: Inorganic Crystallographic Database #84461

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 Atlas for \(\varepsilon = 8\)

Gap Atlas for \(\varepsilon\) = 8 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 4-5

Below is the band structure and isosurface of cP16–H₃N (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.28\) and filling fraction \(\phi = 0.173\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 8-9

Below is the band structure and isosurface of cP16–H₃N (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.295\) and filling fraction \(\phi = 0.12\).

Band Structure across first Brillouin Zone.

View along \(a_1\).