cI36-NO2 (Direct)

cI36–NO₂ (Direct)

Image of cI36–NO₂ (Direct), generated by Vesta

Lattice Vectors:

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

Space Group: 199

Point Group of Structure: \(23\)

Structure DOI: https://doi.org/10.1007/BF01390966

Source: Crystallographic Open Database #1010516

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 8-9

Below is the band structure and isosurface of cI36–NO₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.17\) and filling fraction \(\phi = 0.408\).

Band Structure across first Brillouin Zone.

View along \(a_1\).