# Fileset

[README.txt](https://mdr.nims.go.jp/filesets/1de78020-a960-4c0f-b485-a23dbb3a5620/download)

## Creator

Thien Duc Ngo, [Tadaaki Nagao](https://orcid.org/0000-0002-6746-2686)

## Rights

Creative Commons BY Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[First-principles optical properties and thermophotonic device parameters for TaB2 / (P6/mmm, #191, Hexagonal) / AtomWork-Adv Material ID 4295495057](https://mdr.nims.go.jp/datasets/e899b821-81ed-4ace-a350-0c21f6667d17)

## Fulltext

\# File Description  ## Material Identification  AxBy\_mp\_xxxxxxxxx is the identified material profile. AxBy is the chemical formula, with elements sorted in alphabetical order. xxxxxxxxx is the AtomWork-Adv material\_id.  ## Structure Files  POSCAR - Atomic structure used for VASP calculations. AxBy\_mp\_xxxxxxxxx\_structure.png - Visualization of the atomic structure. AxBy\_mp\_xxxxxxxxx\_info.json - Detailed information about the material.  ## Dielectric Function  AxBy\_mp\_xxxxxxxxx.dat - Calculated dielectric function data. AxBy\_mp\_xxxxxxxxx\_eps.png - Plot of the dielectric function.  ## Complex Refractive Index  AxBy\_mp\_xxxxxxxxx\_nk.dat - Calculated complex refractive index data. AxBy\_mp\_xxxxxxxxx\_nk.png - Plot of the complex refractive index.  ## Device Files  device\_\*\*\*.dat, device\_\*\*\*.png, and device\_\*\*\*.json contain the calculated properties and structural parameters of the devices (perfect absorbers). .dat - Calculated absorptivity data. .png - Visualization/plot of the calculated absorptivity. .json - Structural and calculation parameters of the device.