hR4-NaN3 (Direct)

hR4–NaN₃ (Direct)

Image of hR4–NaN₃ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= 0.7802120956~\hat{x} + 0.6255150565~\hat{y}\\ a_3 &= 0.7802120956~\hat{x} + 0.274143971~\hat{y} + 0.5622403125~\hat{z}\\\end{split}\]

Space Group: 166

Point Group of Structure: \(\bar{3}m\)

Structure DOI: https://doi.org/10.1021/ja01689a008

Source: Crystallographic Open Database #1010088

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 between Bands 12-13

Below is the band structure and isosurface of hR4–NaN₃ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.145\) and filling fraction \(\phi = 0.138\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 13-14

Below is the band structure and isosurface of hR4–NaN₃ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.14\) and filling fraction \(\phi = 0.126\).

Band Structure across first Brillouin Zone.

View along \(a_1\).