hP21-CaH12(BrO3)2 (Inverse)

hP21–CaH12(BrO3)2 (Inverse)

../_images/structure177.jpg

Image of hP21–CaH12(BrO3)2 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 0.4919157308~\hat{z}\\\end{split}\]

Space Group: 150

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1107/S0567740877009881

Source: Crystallographic Open Database #1001011

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16174.png

Gap Atlas for \(\varepsilon\) = 16 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14175.png

Gap Atlas for \(\varepsilon\) = 14 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12144.png

Gap Atlas for \(\varepsilon\) = 12 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10111.png

Gap Atlas for \(\varepsilon\) = 10 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 16-17

Below is the band structure and isosurface of hP21–CaH12(BrO3)2 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.19\) and filling fraction \(\phi = 0.168\).

../_images/band_diagram_b=1630.jpg

Band Structure across first Brillouin Zone.

../_images/hP21-CaH12(BrO3)2_r@gap_16-17.png

View along \(a_1\).