# Integration of X-ray Absorption Fine Structure Databases for Data-Driven Materials Science

https://mdr.nims.go.jp/datasets/3cc837bb-64f2-4495-b0c6-8254e519829e

## File

- [Integration of X ray absorption fine structure databases for data driven materials science.pdf](https://mdr.nims.go.jp/filesets/9ca79de8-8402-4411-bda7-42ef5551e48a/download) ([Detail](https://mdr.nims.go.jp/filesets/9ca79de8-8402-4411-bda7-42ef5551e48a.md))

## Id

3cc837bb-64f2-4495-b0c6-8254e519829e

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-06-07T01:58:08.004679Z

## Updated at

2024-06-10T00:03:53.031647Z

## Published at

2023-06-07T05:18:59.876550Z

## Doi



## First published url

https://doi.org/10.1080/27660400.2023.2197518

## Date published

2023-12-31

## Recorded date published

2023-12-31

## Resource type

journal_article

## Manuscript type

vor

## Collection

- id: 4c070d39-be60-43e2-b0ae-62b0b5c79824
  identifier: https://mdr.nims.go.jp/pid/4c070d39-be60-43e2-b0ae-62b0b5c79824
  title: The history of DICE and NIMS Digital Library

## Title

- title: Integration of X-ray Absorption Fine Structure Databases for Data-Driven
    Materials Science
  title_type: original
  lang: en

## Description

- description: With the aim of introducing data-driven science and establishing an
    infrastructure for making XAFS spectra findable and reusable, we have integrated
    XAFS databases in Japan. This integrated database (MDR XAFS DB) enables cross
    searching of spectra from more than 2000 samples and more than 700 unique materials
    with machine-readable metadata. The introduction of a materials dictionary with
    approximately 6000 synonyms has improved the search performance and links with
    large external databases have been established. In order to compare spectra in
    the database, the energy calibration policies of each institution were compiled,
    and the energy calibration methods across institutions were shown. This clarified
    how to utilize the MDR XAFS DB as a knowledge base. The database created through
    this cross-institution initiative is a model case for the further development
    of databases for other methods and material informatics using them.
  description_type: abstract
  lang: eng

## Creator

- name: Masashi Ishii
  role: author
  orcid: https://orcid.org/0000-0003-0357-2832
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Kosuke Tanabe
  role: author
  orcid: https://orcid.org/0000-0002-9986-7223
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Asahiko Matsuda
  role: author
  orcid: https://orcid.org/0000-0001-5989-027X
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Hironori Ofuchi
  role: author
  orcid: https://orcid.org/0000-0003-1718-4427
- name: Takahiro Matsumoto
  role: author
  orcid: https://orcid.org/0000-0001-6949-5492
- name: Toyonari Yaji
  role: author
- name: Yasuhiro Inada
  role: author
  orcid: https://orcid.org/0000-0001-5772-4788
- name: Hiroaki Nitani
  role: author
  orcid: https://orcid.org/0000-0002-7155-0304
- name: Masao Kimura
  role: author
  orcid: https://orcid.org/0000-0001-8645-2224
- name: Kiyotaka Asakura
  role: author
  orcid: https://orcid.org/0000-0003-1077-5996

## Contact agent



## Publisher

organization: Informa UK Limited

## Managing organization



## Keyword

- subject: X-ray absorption fine structure
  schema: not_defined
- subject: data integration
  schema: not_defined
- subject: metadata
  schema: not_defined
- subject: materials data repository
  schema: not_defined
- subject: DOI
  schema: not_defined
- subject: RDF
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: 'Science and Technology of Advanced Materials: Methods'
  issn: '27660400'
  volume: '3'
  issue: '1'
  start_page: 2197518
  end_page: 2197518

## Conference



## Related item

- title: MDR XAFS DB
  identifier: https://mdr.nims.go.jp/collections/qz20st57x
  identifier_type: URI
  relation_type: is_supplement_to
  related_item_type: dataset

## Funding

- identifier: 'TIA collaborative research program "Kakehashi" '
  funder_name: TIA
- identifier: 21K18024
  funder_name: 'JSPS '
  description: KAKENHI
- identifier: 22H05109
  funder_name: JSPS
  description: 'Grant-in-Aid for Transformative Research Areas (A) '

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## Fileset

- id: 9ca79de8-8402-4411-bda7-42ef5551e48a
  filename: Integration of X ray absorption fine structure databases for data driven
    materials science.pdf
  content_type: application/pdf
  size: 6197175
  md5: d80e594d55e832c08e71da4301e4abc3

## Thumbnail

fileset_id: 9ca79de8-8402-4411-bda7-42ef5551e48a
filename: Integration of X ray absorption fine structure databases for data driven
  materials science.pdf