mC80-H5O2 (Inverse)

mC80–H₅O₂ (Inverse)

Image of mC80–H₅O₂ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 0.9885441482~\hat{z}\\\end{split}\]

Space Group: 5

Point Group of Structure: \(2\)

Structure DOI: https://doi.org/10.1021/jacs.6b06986

Source: Inorganic Crystallographic Database #257192

MPB Epsilon Input File: Download

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 mC80–H₅O₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.215\) and filling fraction \(\phi = 0.204\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 16-17

Below is the band structure and isosurface of mC80–H₅O₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.215\) and filling fraction \(\phi = 0.204\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 18-19

Below is the band structure and isosurface of mC80–H₅O₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.22\) and filling fraction \(\phi = 0.179\).

Band Structure across first Brillouin Zone.

View along \(a_1\).