HeuslerDB_elecDOS_ver1.0
收藏资源简介:
This repository contains the electronic density of states (DOS) 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 DOS 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). - PDOS_json_full_cubic_241229.tar.xz: Full Heusler compounds in cubic structure - PDOS_json_full_tetra_241229.tar.xz: Full Heusler compounds in tetragonal structure - PDOS_json_inverse_cubic_241229.tar.xz: Inverse Heusler compounds in cubic structure - PDOS_json_inverse_tetra_241229.tar.xz: Inverse Heusler compounds in tetragonal structure - PDOS_json_half_cubic_241229.tar.xz: Half Heusler compounds in cubic structure - PDOS_json_half_tetra_241229.tar.xz: Half Heusler compounds in tetragonal structure



