# HeuslerDB_elecBand_ver1.0

https://mdr.nims.go.jp/datasets/879e035b-078f-47d8-8d19-a05ef9274ac4

## File

- [Band_json_full_cubic_241229.tar.xz](https://mdr.nims.go.jp/filesets/2bf0f700-193e-44c4-849b-a960fe3a83af/download) ([Detail](https://mdr.nims.go.jp/filesets/2bf0f700-193e-44c4-849b-a960fe3a83af.md))
- [Band_json_full_tetra_241229.tar.xz](https://mdr.nims.go.jp/filesets/9961d6ed-b072-41d4-9fbd-a2686300dfd0/download) ([Detail](https://mdr.nims.go.jp/filesets/9961d6ed-b072-41d4-9fbd-a2686300dfd0.md))
- [Band_json_half_cubic_241229.tar.xz](https://mdr.nims.go.jp/filesets/51e35ddc-1cac-4f2c-96e3-175c73ad8d13/download) ([Detail](https://mdr.nims.go.jp/filesets/51e35ddc-1cac-4f2c-96e3-175c73ad8d13.md))
- [Band_json_half_tetra_241229.tar.xz](https://mdr.nims.go.jp/filesets/b7bfec4d-9527-4c0c-8f6d-e990842887a7/download) ([Detail](https://mdr.nims.go.jp/filesets/b7bfec4d-9527-4c0c-8f6d-e990842887a7.md))
- [Band_json_inverse_cubic_241229.tar.xz](https://mdr.nims.go.jp/filesets/97565f2e-327a-47de-b442-54b0cce2381a/download) ([Detail](https://mdr.nims.go.jp/filesets/97565f2e-327a-47de-b442-54b0cce2381a.md))
- [Band_json_inverse_tetra_241229.tar.xz](https://mdr.nims.go.jp/filesets/587fea6b-3d88-4b80-ace8-7294fb7f65e9/download) ([Detail](https://mdr.nims.go.jp/filesets/587fea6b-3d88-4b80-ace8-7294fb7f65e9.md))
- [pseudolist_Heuslerdb.txt](https://mdr.nims.go.jp/filesets/10733d69-223c-4a5a-8946-c7c24a361253/download) ([Detail](https://mdr.nims.go.jp/filesets/10733d69-223c-4a5a-8946-c7c24a361253.md))
- [README.md](https://mdr.nims.go.jp/filesets/aefdb7c5-8236-4eda-ae52-f36072e417d4/download) ([Detail](https://mdr.nims.go.jp/filesets/aefdb7c5-8236-4eda-ae52-f36072e417d4.md))

## Id

879e035b-078f-47d8-8d19-a05ef9274ac4

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-10-01T01:26:32.376188Z

## Updated at

2025-10-06T07:30:11.159271Z

## Published at

2025-10-06T07:21:50.217987Z

## Doi

https://doi.org/10.48505/nims.5793

## First published url

https://doi.org/10.1016/j.actamat.2025.121312

## Date published

2025-07-16

## Recorded date published

2025-9

## Resource type

dataset

## Manuscript type

na

## Collection



## Title

- title: HeuslerDB_elecBand_ver1.0
  title_type: original
  lang: en

## Description

- description: "This repository contains the electronic band structures computed using
    VASP for ternary Heusler alloys reported in https://www.sciencedirect.com/science/article/pii/S1359645425005981.
    The number of entries is 51,373. The band structure data is stored in a JSON format
    and can be easily loaded and processed using Python, as detailed below.\r\n\r\nThe
    data is organized by compound type (full, inverse, half) and crystal structure
    (cubic, tetragonal).\r\n\r\n- Band_json_full_cubic_241229.tar.xz: Full Heusler
    compounds in cubic structure\r\n- Band_json_full_tetra_241229.tar.xz: Full Heusler
    compounds in tetragonal structure\r\n- Band_json_inverse_cubic_241229.tar.xz:
    Inverse Heusler compounds in cubic structure\r\n- Band_json_inverse_tetra_241229.tar.xz:
    Inverse Heusler compounds in tetragonal structure\r\n- Band_json_half_cubic_241229.tar.xz:
    Half Heusler compounds in cubic structure\r\n- Band_json_half_tetra_241229.tar.xz:
    Half Heusler compounds in tetragonal structure"
  description_type: abstract
  lang: en

## Creator

- name: Terumasa Tadano
  role: author
  orcid: https://orcid.org/0000-0002-8132-2161
  organization: National Institute for Materials Science
  department: Spin Theory Group, Research Center for Magnetic and Spintronic Materials
  ror: https://ror.org/026v1ze26

## Contact agent



## Publisher



## Managing organization



## Keyword

- subject: Heusler alloys
  schema: not_defined
- subject: Density functional theory
  schema: not_defined
- subject: Band structure
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## 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

- id: 2bf0f700-193e-44c4-849b-a960fe3a83af
  filename: Band_json_full_cubic_241229.tar.xz
  content_type: application/x-xz
  size: 3999663656
  md5: d98400758e9ea008e1e4b151fc80e221
- id: 9961d6ed-b072-41d4-9fbd-a2686300dfd0
  filename: Band_json_full_tetra_241229.tar.xz
  content_type: application/x-xz
  size: 3253469080
  md5: 1573fb322fef0a8350b896ac0340ea18
- id: 51e35ddc-1cac-4f2c-96e3-175c73ad8d13
  filename: Band_json_half_cubic_241229.tar.xz
  content_type: application/x-xz
  size: 2994287624
  md5: 8648e171a431f3d4c7d83c944a5576fe
- id: b7bfec4d-9527-4c0c-8f6d-e990842887a7
  filename: Band_json_half_tetra_241229.tar.xz
  content_type: application/x-xz
  size: 2152844292
  md5: dd28321a2cec91991a46b70f94e36a89
- id: 97565f2e-327a-47de-b442-54b0cce2381a
  filename: Band_json_inverse_cubic_241229.tar.xz
  content_type: application/x-xz
  size: 4847965440
  md5: 1d670f103c114c0f45811910f14860f4
- id: 587fea6b-3d88-4b80-ace8-7294fb7f65e9
  filename: Band_json_inverse_tetra_241229.tar.xz
  content_type: application/x-xz
  size: 4322071488
  md5: 0fe8259f1a012f5a48e1e8cde17b2e75
- id: 10733d69-223c-4a5a-8946-c7c24a361253
  filename: pseudolist_Heuslerdb.txt
  content_type: text/plain
  size: 350
  md5: c1bb9cd8e1b7d3d28952349e012d8b9a
- id: aefdb7c5-8236-4eda-ae52-f36072e417d4
  filename: README.md
  content_type: text/markdown
  size: 2524
  md5: ffc776a05eac2cf5e2230a6b01e1a4ea

## Thumbnail