tI16-AlAgS2 (Direct)

tI16–AlAgS₂ (Direct)

Image of tI16–AlAgS₂ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.4366149688~\hat{x} + 0.4366149688~\hat{y} + 0.786596935~\hat{z}\\ a_2 &= 0.4366149688~\hat{x} - 0.4366149688~\hat{y} + 0.786596935~\hat{z}\\ a_3 &= 0.4366149688~\hat{x} + 0.4366149688~\hat{y} - 0.786596935~\hat{z}\\\end{split}\]

Space Group: 122

Point Group of Structure: \(\bar{42}m\)

Structure DOI: https://doi.org/10.1002/zaac.19532710307

Source: Crystallographic Open Database #1509153

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 Atlas for \(\varepsilon = 6\)

Gap Atlas for \(\varepsilon\) = 6 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 4\)

Gap Atlas for \(\varepsilon\) = 4 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 8-9

Below is the band structure and isosurface of tI16–AlAgS₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.21\) and filling fraction \(\phi = 0.489\).

Band Structure across first Brillouin Zone.

View along \(a_1\).