cI116-Ca6Al7O16 (Direct)

cI116–Ca₆Al₇O₁₆ (Direct)

Image of cI116–Ca₆Al₇O₁₆ (Direct), generated by Vesta

Lattice Vectors:

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

Space Group: 220

Point Group of Structure: \(\bar{43}m\)

Structure DOI: https://doi.org/10.1021/cm9007987

Source: Inorganic Crystallographic Database #164633

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 18-19

Below is the band structure and isosurface of cI116–Ca₆Al₇O₁₆ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.095\) and filling fraction \(\phi = 0.266\).

Band Structure across first Brillouin Zone.

View along \(a_1\).