Raw DFT data for "Post-aragonite phases of CaCO3 at lower mantle pressures"
收藏DataCite Commons2023-04-27 更新2025-04-17 收录
下载链接：
https://datashare.ed.ac.uk/handle/10283/3001
下载链接
链接失效反馈官方服务：
资源简介：
This dataset contains DFT enthalpies and phonon spectra, computed with PBEsol, that together produce the theoretical static, and P-T quasiharmonic phase diagrams seen in the paper "Post-aragonite phases of CaCO3 at lower mantle pressures".
提供机构：
University of Edinburgh
创建时间：
2018-01-16
