hP13-BaCo6P6O12 (Inverse)

hP13–BaCo6P6O12 (Inverse)

../_images/structure115.jpg

Image of hP13–BaCo6P6O12 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 1.5816943266~\hat{z}\\\end{split}\]

Space Group: 147

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

Structure DOI: https://doi.org/10.1021/ic4009027

Source: Crystallographic Open Database #4335568

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16113.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14113.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1296.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1077.png

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

Gap between Bands 7-8

Below is the band structure and isosurface of hP13–BaCo6P6O12 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.36\) and filling fraction \(\phi = 0.12\).

../_images/band_diagram_b=71.jpg

Band Structure across first Brillouin Zone.

../_images/hP13-BaCo6P6O12_r@gap_7-8.png

View along \(a_1\).