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説明:

(abstract)

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.

The data is organized by compound type (full, inverse, half) and crystal structure (cubic, tetragonal).

- Band_json_full_cubic_241229.tar.xz: Full Heusler compounds in cubic structure
- Band_json_full_tetra_241229.tar.xz: Full Heusler compounds in tetragonal structure
- Band_json_inverse_cubic_241229.tar.xz: Inverse Heusler compounds in cubic structure
- Band_json_inverse_tetra_241229.tar.xz: Inverse Heusler compounds in tetragonal structure
- Band_json_half_cubic_241229.tar.xz: Half Heusler compounds in cubic structure
- Band_json_half_tetra_241229.tar.xz: Half Heusler compounds in tetragonal structure

データの性質: other

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: Heusler alloys, Density functional theory, Band structure

刊行年月日: 2025-07-16

出版者:

掲載誌:

研究助成金:

原稿種別: 論文以外のデータ

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

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

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更新時刻: 2025-10-06 16:30:11 +0900

MDRでの公開時刻: 2025-10-06 16:21:50 +0900