cF288-AlH2.25O1.875F1.5 (Inverse)

cF288–AlH2.25O1.875F1.5 (Inverse)

../_images/structure144.jpg

Image of cF288–AlH2.25O1.875F1.5 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= ~\hat{z}\\\end{split}\]

Space Group: 227

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

Structure DOI: https://doi.org/10.1021/ja01181a030

Source: Crystallographic Open Database #4124633

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16142.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14142.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12115.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1089.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-851.png

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 cF288–AlH2.25O1.875F1.5 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.15\) and filling fraction \(\phi = 0.251\).

../_images/band_diagram_b=828.jpg

Band Structure across first Brillouin Zone.

../_images/cF288-AlH225O1875F15_r@gap_8-9.png

View along \(a_1\).

../_images/cF72-AlF15H225O1875_r@gap_8-9.png

View along \(a_2\).