hP36-H2O (Direct)

hP36–H₂O (Direct)

Image of hP36–H₂O (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 16/17~\hat{z}\\\end{split}\]

Space Group: 185

Point Group of Structure: \(6mm\)

Structure DOI: https://doi.org/10.1063/1.1749327

Source: Crystallographic Open Database #1011023

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 Atlas for \(\varepsilon = 6\)

Gap Atlas for \(\varepsilon\) = 6 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 12-13

Below is the band structure and isosurface of hP36–H₂O (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.135\) and filling fraction \(\phi = 0.293\).

Band Structure across first Brillouin Zone.

View along \(a_1\).