# Spglib: a software library for crystal symmetry search

https://mdr.nims.go.jp/datasets/c45f8c83-c091-407e-a7e4-758dd34f559b

## File

- [Spglib  a software library for crystal symmetry search.pdf](https://mdr.nims.go.jp/filesets/d30a5177-949d-44e2-880b-5f08d13673e3/download) ([Detail](https://mdr.nims.go.jp/filesets/d30a5177-949d-44e2-880b-5f08d13673e3.md))

## Id

c45f8c83-c091-407e-a7e4-758dd34f559b

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-11-11T05:09:08.019360Z

## Updated at

2024-11-12T07:30:24.375240Z

## Published at

2024-11-12T07:30:25.590213Z

## Doi



## First published url

https://doi.org/10.1080/27660400.2024.2384822

## Date published

2024-12-31

## Recorded date published

2024-12-31

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Spglib: a software library for crystal symmetry search'
  title_type: original
  lang: en

## Description

- description: A computer algorithm to search the symmetries of crystal structures,
    as imple- mented in the spglib code, is described. An iterative algorithm is employed
    to robustly identify space group types, tolerating a certain amount of distortion
    in the crystal structures. The source code is distributed under the 3-Clause BSD
    License, a permissive open-source software license. This paper focuses on the
    algorithm for identifying the space group symmetry of the crystal structures.
  description_type: abstract
  lang: und

## Creator

- name: Atsushi Togo
  role: author
  orcid: https://orcid.org/0000-0001-8393-9766
- name: Kohei Shinohara
  role: author
- name: Isao Tanaka
  role: author

## Contact agent



## Publisher

organization: Informa UK Limited

## Managing organization



## Keyword

- subject: Space group
  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: '4'
  issue: '1'

## Conference



## Related item



## Funding

- identifier: JP21K04632
  funder_name: JSPS KAKENHI
- identifier: JP24K08021
  funder_name: JSPS KAKENHI

## 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

- id: d30a5177-949d-44e2-880b-5f08d13673e3
  filename: Spglib  a software library for crystal symmetry search.pdf
  content_type: application/pdf
  size: 1562000
  md5: '088e451d197bdcda0ad2154317317c29'

## Thumbnail

fileset_id: d30a5177-949d-44e2-880b-5f08d13673e3
filename: Spglib  a software library for crystal symmetry search.pdf