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

cF288–AlH_2.25O_1.875F_1.5 (Direct)

Image of cF288–AlH_2.25O_1.875F_1.5 (Direct), 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 \(\varepsilon = 16\)

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 cF288–AlH_2.25O_1.875F_1.5 (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.115\) and filling fraction \(\phi = 0.342\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

View along \(a_2\).