# MFe6X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ’gap’ magnets

https://mdr.nims.go.jp/datasets/e5895327-c8e0-4b87-987f-c623f1c82833

## File

- [Manuscript_corrections.pdf](https://mdr.nims.go.jp/filesets/f4f31d48-caf6-456b-8571-49aa165ec01b/download) ([Detail](https://mdr.nims.go.jp/filesets/f4f31d48-caf6-456b-8571-49aa165ec01b.md))

## Id

e5895327-c8e0-4b87-987f-c623f1c82833

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-08-07T06:56:56.243752Z

## Updated at

2025-08-18T07:30:29.985446Z

## Published at

2025-08-18T07:21:29.702613Z

## Doi

https://doi.org/10.48505/nims.5632

## First published url

https://doi.org/10.1080/14686996.2025.2527024

## Date published

2025-12-31

## Recorded date published

2025-12-31

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: MFe6X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible
    ’gap’ magnets
  title_type: original
  lang: en

## Description

- description: LiFe6Ge4, with a theoretically predicted saturation magnetization of
    1 T, a magnetocrystalline anisotropy energy of 1.78 MJ/m3 and a Curie temperature
    of 620 K was suggested to be a promising permanent magnet as an outcome of a data-mining
    search. Magnetic measurements of the synthesized sample are reported here. Unfortunately,
    experiments revealed a weak ferromagnetic behaviour with magnetization values
    much below that predicted by theory. This discrepancy is analyzed in detail, and
    is attributed to the trigonal crystal symmetry that was missed in the previous
    characterisation of the material. The correct crystal structure is R-3mH (space
    group 166) and it is found here to have an antiferromagnetic ground state, as
    opposed to a theoretically predicted ferromagnetic state of the previously reported
    monoclinic crystal structure. Theoretical calculations show that element substitution
    can stabilize a ferromagnetic state of the trigonal crystal structure, with high
    values of saturation magnetization and magnetocrystalline anisotropy. The best
    results are seen for the Al or Ga substitution for Ge of the LiFe6 X4 compound.
  description_type: abstract
  lang: en

## Creator

- name: Alena Vishina
  role: author
  organization: Uppsala University
  department: a Department of Physics and Astronomy
- name: Rebecca Clulow
  role: author
- name: Daniel Hedlund
  role: author
- name: Vitalii Shtender
  role: author
- name: Peter Svedlindh
  role: author
- name: Martin Sahlberg
  role: author
- name: Olle Eriksson
  role: author
- name: Heike C. Herper
  role: author

## Contact agent



## Publisher

organization: Taylor & Francis

## Managing organization



## Keyword

- subject: Permanent magnets
  schema: not_defined
- subject: magnetic anisotropy
  schema: not_defined
- subject: DFT
  schema: not_defined
- subject: magnetism
  schema: not_defined
- subject: rare-earth-free
  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
  issn: '14686996'
  volume: '26'
  issue: '1'
  article_number: '2527024'

## 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

- id: f4f31d48-caf6-456b-8571-49aa165ec01b
  filename: Manuscript_corrections.pdf
  content_type: application/pdf
  size: 4748222
  md5: 006c6f2c49b304f19c195bf4b2c29f23

## Thumbnail

fileset_id: f4f31d48-caf6-456b-8571-49aa165ec01b
filename: Manuscript_corrections.pdf