tI12-InPS4 (Inverse)

tI12–InPS₄ (Inverse)

Image of tI12–InPS₄ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.4665087255~\hat{x} + 0.4665087255~\hat{y} + 0.7514913294~\hat{z}\\ a_2 &= 0.4665087255~\hat{x} - 0.4665087255~\hat{y} + 0.7514913294~\hat{z}\\ a_3 &= 0.4665087255~\hat{x} + 0.4665087255~\hat{y} - 0.7514913294~\hat{z}\\\end{split}\]

Space Group: 82

Point Group of Structure: \(\bar{4}\)

Structure DOI: https://doi.org/10.1107/S0567740878005002

Source: Crystallographic Open Database #2106498

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 11-12

Below is the band structure and isosurface of tI12–InPS₄ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.31\) and filling fraction \(\phi = 0.175\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 14-15

Below is the band structure and isosurface of tI12–InPS₄ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.31\) and filling fraction \(\phi = 0.175\).

Band Structure across first Brillouin Zone.

View along \(a_1\).