# Fileset

[README.txt](https://mdr.nims.go.jp/filesets/691176d7-b61b-45f7-93fb-b64481bab833/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 Zr2W4 / (Fd-3m, #227, Cubic) / AtomWork-Adv Material ID 4296181337](https://mdr.nims.go.jp/datasets/ffd10264-18de-4d2a-9947-5a0de6d0b6a0)

## 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.