HeuslerDB_elecBand_ver1.0
收藏DataCite Commons2025-10-08 更新2026-05-04 收录
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https://mdr.nims.go.jp/pid/879e035b-078f-47d8-8d19-a05ef9274ac4
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资源简介：
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
提供机构：
National Institute for Materials Science
创建时间：
2025-10-05
