tP36-H2O (Direct)

tP36–H₂O (Direct)

Image of tP36–H₂O (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.0148588268~\hat{z}\\\end{split}\]

Space Group: 92

Point Group of Structure: \(422\)

Structure DOI: https://doi.org/10.1107/S0567740868004231

Source: Inorganic Crystallographic Database #64771

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 between Bands 12-13

Below is the band structure and isosurface of tP36–H₂O (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.15\) and filling fraction \(\phi = 0.119\).

Band Structure across first Brillouin Zone.

View along \(a_1\).