# First-principles optical properties and thermophotonic device parameters for Zr2Zn / (I4/mmm, #139, Tetragonal) / AtomWork-Adv Material ID 4296202820

https://mdr.nims.go.jp/datasets/b8fa522a-ebd4-4bd5-be4a-6df9e3839b26

## File

- [POSCAR](https://mdr.nims.go.jp/filesets/c1cae4f6-d17a-42d0-a7bf-77e1c03712bf/download) ([Detail](https://mdr.nims.go.jp/filesets/c1cae4f6-d17a-42d0-a7bf-77e1c03712bf.md))
- [README.txt](https://mdr.nims.go.jp/filesets/e2efdd9f-3f83-4ba3-998c-9cc6109b7eae/download) ([Detail](https://mdr.nims.go.jp/filesets/e2efdd9f-3f83-4ba3-998c-9cc6109b7eae.md))
- [Zn1Zr2_mp_4296202820.dat](https://mdr.nims.go.jp/filesets/51562e80-5229-4eb5-8070-6a4b47fc9367/download) ([Detail](https://mdr.nims.go.jp/filesets/51562e80-5229-4eb5-8070-6a4b47fc9367.md))
- [Zn1Zr2_mp_4296202820_eps.png](https://mdr.nims.go.jp/filesets/7ca8e365-2c47-4eb4-9138-aab8417b9dd6/download) ([Detail](https://mdr.nims.go.jp/filesets/7ca8e365-2c47-4eb4-9138-aab8417b9dd6.md))
- [Zn1Zr2_mp_4296202820_info.json](https://mdr.nims.go.jp/filesets/4ac8c974-ba91-48cc-bf39-d205394f0302/download) ([Detail](https://mdr.nims.go.jp/filesets/4ac8c974-ba91-48cc-bf39-d205394f0302.md))
- [Zn1Zr2_mp_4296202820_nk.dat](https://mdr.nims.go.jp/filesets/2f99d642-55fe-4b2a-8048-a62dfad8d852/download) ([Detail](https://mdr.nims.go.jp/filesets/2f99d642-55fe-4b2a-8048-a62dfad8d852.md))
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- [Zn1Zr2_mp_4296202820_structure.png](https://mdr.nims.go.jp/filesets/55698de1-8687-49f7-a768-c0297e30a901/download) ([Detail](https://mdr.nims.go.jp/filesets/55698de1-8687-49f7-a768-c0297e30a901.md))
- [device_grating_4.26um_Zn1Zr2_mp_4296202820.json](https://mdr.nims.go.jp/filesets/e9559232-6dd8-4cef-84e8-f0e956cb6e9e/download) ([Detail](https://mdr.nims.go.jp/filesets/e9559232-6dd8-4cef-84e8-f0e956cb6e9e.md))
- [device_grating_4.26um_Zn1Zr2_mp_4296202820_P_4.228_W_2.147_H_0.160.dat](https://mdr.nims.go.jp/filesets/b1763535-52d5-4cfd-8382-92ee48fcbb8c/download) ([Detail](https://mdr.nims.go.jp/filesets/b1763535-52d5-4cfd-8382-92ee48fcbb8c.md))
- [device_grating_4.26um_Zn1Zr2_mp_4296202820_P_4.228_W_2.147_H_0.160.png](https://mdr.nims.go.jp/filesets/8308471c-86b5-4c8c-b26b-57db27cf97d1/download) ([Detail](https://mdr.nims.go.jp/filesets/8308471c-86b5-4c8c-b26b-57db27cf97d1.md))
- [device_mimM2_7.5um_Zn1Zr2_mp_4296202820.json](https://mdr.nims.go.jp/filesets/e42bfb6f-a4d6-4ceb-82bc-b97d9b89ad92/download) ([Detail](https://mdr.nims.go.jp/filesets/e42bfb6f-a4d6-4ceb-82bc-b97d9b89ad92.md))
- [device_mimM2_7.5um_Zn1Zr2_mp_4296202820_P_4.500_W_1.801_H_0.200_T2_0.200.dat](https://mdr.nims.go.jp/filesets/f848a0fb-cc51-454b-813d-5f9eaf2e3568/download) ([Detail](https://mdr.nims.go.jp/filesets/f848a0fb-cc51-454b-813d-5f9eaf2e3568.md))
- [device_mimM2_7.5um_Zn1Zr2_mp_4296202820_P_4.500_W_1.801_H_0.200_T2_0.200.png](https://mdr.nims.go.jp/filesets/d27f03b8-0df8-448c-9119-bd4d188a9d4b/download) ([Detail](https://mdr.nims.go.jp/filesets/d27f03b8-0df8-448c-9119-bd4d188a9d4b.md))
- [device_trenchM1_4.26um_Zn1Zr2_mp_4296202820.json](https://mdr.nims.go.jp/filesets/1b19a10c-e4af-4cc1-8c42-41b4ce1bb886/download) ([Detail](https://mdr.nims.go.jp/filesets/1b19a10c-e4af-4cc1-8c42-41b4ce1bb886.md))
- [device_trenchM1_4.26um_Zn1Zr2_mp_4296202820_P_4.245_W_2.000_H_2.304.dat](https://mdr.nims.go.jp/filesets/ab0b45e5-9f41-42df-b2f5-3792d5bb6cc6/download) ([Detail](https://mdr.nims.go.jp/filesets/ab0b45e5-9f41-42df-b2f5-3792d5bb6cc6.md))
- [device_trenchM1_4.26um_Zn1Zr2_mp_4296202820_P_4.245_W_2.000_H_2.304.png](https://mdr.nims.go.jp/filesets/a73f7ee2-0362-4d45-872e-4e08705c510b/download) ([Detail](https://mdr.nims.go.jp/filesets/a73f7ee2-0362-4d45-872e-4e08705c510b.md))

## Id

b8fa522a-ebd4-4bd5-be4a-6df9e3839b26

## Local identifier

identifier: Zn1Zr2_mp_4296202820

## Visibility

open_to_public

## State

published

## Created at

2026-10-05T02:06:10.774451Z

## Updated at

2026-11-06T06:14:31.173634Z

## Published at

2026-11-06T05:34:26.355225Z

## Doi

https://doi.org/10.48505/nims.8628

## First published url



## Date published



## Recorded date published



## Resource type

dataset

## Manuscript type

na

## Collection

- id: 243f7e6e-379e-46a5-a2be-3862dacbba2e
  identifier: https://mdr.nims.go.jp/pid/243f7e6e-379e-46a5-a2be-3862dacbba2e
  title: Dielectric Functions of Binary Metallic Compounds

## Title

- title: 'First-principles optical properties and thermophotonic device parameters
    for Zr2Zn / (I4/mmm, #139, Tetragonal) / AtomWork-Adv Material ID 4296202820'
  title_type: original
  lang: en

## Description

- description: 'Optical properties (Dielectric function and Complex refractive index)
    and structural parameters of the thermophotonic devices (Perfect Absorbers) based
    on Zr2Zn (Reduced formula: Zn1Zr2) / (I4/mmm, #139, Tetragonal) / AtomWork-Adv
    Material ID 4296202820'
  description_type: abstract
  lang: en

## Creator

- name: Thien Duc Ngo
  role: author
- name: Tadaaki Nagao
  role: author
  orcid: https://orcid.org/0000-0002-6746-2686

## Contact agent



## Publisher



## Managing organization



## Keyword

- subject: Zr2Zn
  schema: not_defined
- subject: thermophotonic
  schema: not_defined
- subject: high-throughput calculation
  schema: not_defined
- subject: binary compound
  schema: not_defined
- subject: optical constant
  schema: not_defined
- subject: infrared
  schema: not_defined
- subject: metal
  schema: not_defined

## Rights

- description: Creative Commons BY Attribution 4.0 International
  identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal



## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

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