NOMAD Chemical Formulas and Calculation IDs
收藏DataCite Commons2022-03-07 更新2024-07-29 收录
下载链接：
https://figshare.com/articles/dataset/NOMAD_Chemical_Formulas_and_Calculation_IDs/19319783/1
下载链接
链接失效反馈官方服务：
资源简介：
Two columns: `calc_id` (Calculation ID) and `formula` (Chemical Formula). Some calculation IDs may have missing chemical formulas. The list has not been filtered down to unique chemical formulas. No structural information is included directly in this data.<br>The data was downloaded on 2022-03-07 using https://github.com/sparks-baird/nomad-examples/blob/0.1.0/all_formula_basic_metadata.py
提供机构：
figshare
创建时间：
2022-03-07
