# Achieving high thermoelectric performance of triple half-Heusler compositions enabled by high-throughput screening

https://mdr.nims.go.jp/datasets/d37b2b07-9edf-4bc6-880d-a52620dff7b0

## File

- [Revised-Manuscript-fin.docx](https://mdr.nims.go.jp/filesets/d701179f-953e-4048-aacf-ce3c90f1e769/download) ([Detail](https://mdr.nims.go.jp/filesets/d701179f-953e-4048-aacf-ce3c90f1e769.md))

## Id

d37b2b07-9edf-4bc6-880d-a52620dff7b0

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-12-24T05:30:26.947377Z

## Updated at

2026-04-30T03:01:11.491392Z

## Published at

2026-10-07T23:27:23.198358Z

## Doi

https://doi.org/10.48505/nims.6147

## First published url

https://doi.org/10.1039/D5TA05156H

## Date published

2025-10-08

## Recorded date published

2025-11-18

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Achieving high thermoelectric performance of triple half-Heusler compositions
    enabled by high-throughput screening
  title_type: original
  lang: en

## Description

- description: In this study, we conducted experimental screening of 90 compositions
    expected to form DHH/THH compounds using liquid phase synthesis for high-throughput
    experiments. From this screening, two compositions, MgV2Co3Sb3 and Mg2NbNi3Sb3,
    were selected and synthesized as bulk materials to measure their thermoelectric
    properties. Both compositions demonstrated low thermal conductivity typical of
    half Heusler compounds, with MgV2Co3Sb3 showing the highest thermoelectric performance
    with a zT > 0.7 at 973 K as a triple half Heusler composition.
  description_type: abstract
  lang: eng

## Creator

- name: Kazuki Imasato
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center
- name: Haruhiko Morito
  role: author
  organization: Institute for Materials Research (IMR)
  department: Tohoku University
- name: Hidetoshi Miyazaki
  role: author
  organization: Nagoya Institute of Technology
  department: Department of Physical Science and Engineering
- name: Fumikazu Hosono
  role: author
  organization: National Institute for Materials Science
  department: Research Center for Energy and Environmental Materials (GREEN)/Hydrogen
    Technology Materials Field/Advanced Superconducting Wire Group
- name: Philipp Sauerschnig
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center
- name: Masanobu Miyata
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center
- name: Takao Ishida
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center
- name: Atsushi Yamamoto
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center
- name: Yukari Katsura
  role: author
  orcid: https://orcid.org/0000-0002-8905-2995
  organization: National Institute for Materials Science
  department: Center for Basic Research on Materials/Data-driven Materials Research
    Field/Materials Modeling Group
- name: Michihiro Ohta
  role: author
  organization: National Institute of Advanced Industrial Science and Technology (AIST)
  department: Global Zero Emission Research Center

## Contact agent



## Publisher

organization: Royal Society of Chemistry

## Managing organization



## Keyword

- subject: Thermoelectrics
  schema: not_defined
- subject: Half Heusler
  schema: not_defined
- subject: Thermal conductivity
  schema: not_defined
- subject: Carrier mobility
  schema: not_defined
- subject: Alloying
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2025-10-08
end_date: 2026-10-08

## Journal

- title: Journal of Materials Chemistry A
  issn: '20507488'
  volume: '13'
  issue: '45'
  start_page: 39042
  end_page: 39052
  article_number: '2590811'

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## Funding

- identifier: JP24KK0263
  funder_name: Japan Society for the Promotion of Science (JSPS)
- identifier: JP22K14468
  funder_name: Japan Society for the Promotion of Science (JSPS)
  description: ダブルハーフホイスラー合成による新たな熱電性能向上指針の構築
- identifier: JPMJCR19J1
  funder_name: the Japan Science and Technology Agency (JST)
  description: CREST / 新規結晶の大規模探索に基づく革新的機能材料の開発
- funder_name: Japan Society for the Promotion of Science (JSPS)
  description: JSPS Overseas Research Fellowships

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## Fileset

- id: d701179f-953e-4048-aacf-ce3c90f1e769
  filename: Revised-Manuscript-fin.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 8966812
  md5: 719040b2c16088bacdab41b04893b848

## Thumbnail

fileset_id: d701179f-953e-4048-aacf-ce3c90f1e769
filename: Revised-Manuscript-fin.docx