# 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

## File

- [POSCAR](https://mdr.nims.go.jp/filesets/cd076a51-ee73-42f8-8d47-e37d42fc519d/download) ([Detail](https://mdr.nims.go.jp/filesets/cd076a51-ee73-42f8-8d47-e37d42fc519d.md))
- [README.txt](https://mdr.nims.go.jp/filesets/691176d7-b61b-45f7-93fb-b64481bab833/download) ([Detail](https://mdr.nims.go.jp/filesets/691176d7-b61b-45f7-93fb-b64481bab833.md))
- [W2Zr1_mp_4296181337.dat](https://mdr.nims.go.jp/filesets/b0971dab-3142-4f77-88a3-dffce9f813db/download) ([Detail](https://mdr.nims.go.jp/filesets/b0971dab-3142-4f77-88a3-dffce9f813db.md))
- [W2Zr1_mp_4296181337_eps.png](https://mdr.nims.go.jp/filesets/14cf8033-1025-4bcd-83dc-9f2d9463146c/download) ([Detail](https://mdr.nims.go.jp/filesets/14cf8033-1025-4bcd-83dc-9f2d9463146c.md))
- [W2Zr1_mp_4296181337_info.json](https://mdr.nims.go.jp/filesets/898ddc61-4630-4552-9d59-6af696f4e836/download) ([Detail](https://mdr.nims.go.jp/filesets/898ddc61-4630-4552-9d59-6af696f4e836.md))
- [W2Zr1_mp_4296181337_nk.dat](https://mdr.nims.go.jp/filesets/9a33b3dd-0e2c-4771-8a06-f6cc9e2c7c07/download) ([Detail](https://mdr.nims.go.jp/filesets/9a33b3dd-0e2c-4771-8a06-f6cc9e2c7c07.md))
- [W2Zr1_mp_4296181337_nk.png](https://mdr.nims.go.jp/filesets/5734eb1d-b6e6-431a-a409-931bbf96d62d/download) ([Detail](https://mdr.nims.go.jp/filesets/5734eb1d-b6e6-431a-a409-931bbf96d62d.md))
- [W2Zr1_mp_4296181337_structure.png](https://mdr.nims.go.jp/filesets/5e66c38c-05c8-45ef-ab62-500241e6b569/download) ([Detail](https://mdr.nims.go.jp/filesets/5e66c38c-05c8-45ef-ab62-500241e6b569.md))
- [device_grating_4.26um_W2Zr1_mp_4296181337.json](https://mdr.nims.go.jp/filesets/9ffb91ed-b3b3-4f9e-adb5-f4d37d193035/download) ([Detail](https://mdr.nims.go.jp/filesets/9ffb91ed-b3b3-4f9e-adb5-f4d37d193035.md))
- [device_grating_4.26um_W2Zr1_mp_4296181337_P_4.246_W_1.799_H_0.172.dat](https://mdr.nims.go.jp/filesets/560278a4-2888-4e83-9e87-5d43f62c5601/download) ([Detail](https://mdr.nims.go.jp/filesets/560278a4-2888-4e83-9e87-5d43f62c5601.md))
- [device_grating_4.26um_W2Zr1_mp_4296181337_P_4.246_W_1.799_H_0.172.png](https://mdr.nims.go.jp/filesets/63a72ee5-18a4-4b5a-8085-2bc391ecba83/download) ([Detail](https://mdr.nims.go.jp/filesets/63a72ee5-18a4-4b5a-8085-2bc391ecba83.md))
- [device_mimM2_7.5um_W2Zr1_mp_4296181337.json](https://mdr.nims.go.jp/filesets/4a33cacf-d460-4a2b-a220-1c5ad007efb6/download) ([Detail](https://mdr.nims.go.jp/filesets/4a33cacf-d460-4a2b-a220-1c5ad007efb6.md))
- [device_mimM2_7.5um_W2Zr1_mp_4296181337_P_4.500_W_1.830_H_0.200_T2_0.200.dat](https://mdr.nims.go.jp/filesets/42b6aa56-125f-4339-bbbe-50be91d19aba/download) ([Detail](https://mdr.nims.go.jp/filesets/42b6aa56-125f-4339-bbbe-50be91d19aba.md))
- [device_mimM2_7.5um_W2Zr1_mp_4296181337_P_4.500_W_1.830_H_0.200_T2_0.200.png](https://mdr.nims.go.jp/filesets/e19f0455-e6da-46f3-b3a2-2007e8d67777/download) ([Detail](https://mdr.nims.go.jp/filesets/e19f0455-e6da-46f3-b3a2-2007e8d67777.md))
- [device_trenchM1_4.26um_W2Zr1_mp_4296181337.json](https://mdr.nims.go.jp/filesets/8f187e4a-8bfd-4be2-858b-f7385c80de6b/download) ([Detail](https://mdr.nims.go.jp/filesets/8f187e4a-8bfd-4be2-858b-f7385c80de6b.md))
- [device_trenchM1_4.26um_W2Zr1_mp_4296181337_P_4.171_W_2.736_H_2.277.dat](https://mdr.nims.go.jp/filesets/62893d63-b727-4b6a-a60c-3e2ba2b0c1bc/download) ([Detail](https://mdr.nims.go.jp/filesets/62893d63-b727-4b6a-a60c-3e2ba2b0c1bc.md))
- [device_trenchM1_4.26um_W2Zr1_mp_4296181337_P_4.171_W_2.736_H_2.277.png](https://mdr.nims.go.jp/filesets/7f2fdc82-4536-4e02-b12e-fdd53ee4c748/download) ([Detail](https://mdr.nims.go.jp/filesets/7f2fdc82-4536-4e02-b12e-fdd53ee4c748.md))
- [device_trenchM2_15um_W2Zr1_mp_4296181337.json](https://mdr.nims.go.jp/filesets/2e9b5181-eced-4bcf-bb72-35997b5689c7/download) ([Detail](https://mdr.nims.go.jp/filesets/2e9b5181-eced-4bcf-bb72-35997b5689c7.md))
- [device_trenchM2_15um_W2Zr1_mp_4296181337_P_4.211_W_3.793_H_3.028.dat](https://mdr.nims.go.jp/filesets/a7d24c39-34f3-4768-bcf5-2ac0afeae9a5/download) ([Detail](https://mdr.nims.go.jp/filesets/a7d24c39-34f3-4768-bcf5-2ac0afeae9a5.md))
- [device_trenchM2_15um_W2Zr1_mp_4296181337_P_4.211_W_3.793_H_3.028.png](https://mdr.nims.go.jp/filesets/85deba33-b872-4504-bab8-e0ab20aef37d/download) ([Detail](https://mdr.nims.go.jp/filesets/85deba33-b872-4504-bab8-e0ab20aef37d.md))

## Id

ffd10264-18de-4d2a-9947-5a0de6d0b6a0

## Local identifier

identifier: W2Zr1_mp_4296181337

## Visibility

open_to_public

## State

published

## Created at

2026-10-05T02:06:10.160071Z

## Updated at

2026-10-20T01:38:09.375581Z

## Published at

2026-11-06T08:07:00.641523Z

## Doi

https://doi.org/10.48505/nims.8622

## 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 Zr2W4 / (Fd-3m, #227, Cubic) / AtomWork-Adv Material ID 4296181337'
  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 Zr2W4 (Reduced formula: W2Zr1) / (Fd-3m, #227, Cubic) / AtomWork-Adv Material
    ID 4296181337'
  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: Zr2W4
  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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