Materials Project (20250124 快照) 的新颖性检查库和EAH计算竞争相库 Novelty check library and EAH calculation competing phase library of the Materials Project

在采用 https://github.com/xiaohang007/SLICES/tree/main/HTS/7_EAH_prescreen 或 https://github.com/xiaohang007/SLICES/tree/main/HTS/9_EAH_Band_gap_PBE 文件夹进行 EAH 计算时，如果需要将 Materials Project 数据库（20250124 快照）中的所有材料作为竞争相进行计算，可以直接使用 all_mp_competitive_compositions.json 文件，无需自行下载 Materials Project 数据库中的所有竞争相数据。同理，在使用 https://github.com/xiaohang007/SLICES/tree/main/MatterGPT/3_novelty 计算材料新颖性时，如果需要在整个 Materials Project 数据库中进行新颖性检查，可以使用 cifs_mp_all.json 文件。When performing EAH calculations using the folders at https://github.com/xiaohang007/SLICES/tree/main/HTS/7_EAH_prescreen or https://github.com/xiaohang007/SLICES/tree/main/HTS/9_EAH_Band_gap_PBE, if you need to consider all materials from the Materials Project database (snapshot 20250124) as competing phases, you can directly use the all_mp_competitive_compositions.json file, eliminating the need to manually download all competing phase data from the Materials Project database. Similarly, when assessing material novelty using https://github.com/xiaohang007/SLICES/tree/main/MatterGPT/3_novelty, if a novelty check across the entire Materials Project database is required, you can utilize the cifs_mp_all.json file.