hR36-H2O (Direct)

hR36–H₂O (Direct)

Image of hR36–H₂O (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -0.3923370921~\hat{x} + 0.9198215078~\hat{y}\\ a_3 &= -0.3923370921~\hat{x} - 0.5938820536~\hat{y} + 0.7024070847~\hat{z}\\\end{split}\]

Space Group: 148

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

Structure DOI: https://doi.org/10.1107/S0365110X64003553

Source: Inorganic Crystallographic Database #15907

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 between Bands 12-13

Below is the band structure and isosurface of hR36–H₂O (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.13\) and filling fraction \(\phi = 0.396\).

Band Structure across first Brillouin Zone.

View along \(a_1\).