cP7-SiB6 (Direct)

cP7–SiB₆ (Direct)

Image of cP7–SiB₆ (Direct), generated by Vesta

Lattice Vectors:

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

Space Group: 221

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

Structure DOI: https://doi.org/10.17188/1299378

Source: Inorganic Crystallographic Database #20240

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 between Bands 5-6

Below is the band structure and isosurface of cP7–SiB₆ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.23\) and filling fraction \(\phi = 0.345\).

Band Structure across first Brillouin Zone.

View along \(a_1\).