2026-10-13T21:25:23Z https://www.scidb.cn/oai

10.57760/sciencedb.22693 2025-03-26T16:31:53Z

2025-03-26 Investigation of the high-pressure behaviors of helvine by single-crystal X-ray diffraction, Raman spectroscopy, and DFT calculations doi:10.57760/sciencedb.22693 en At room temperature, the pressure interval for collecting single crystal XRD data of natural sunlight garnet is about 3 GPa, with a maximum pressure of about 22.6 GPa. The experimental data obtained were normalized using GSE-ADA software for single crystal diffraction data, and the unit cell parameters of garnet were analyzed using Unitcell software. In order to verify the XRD experimental results, we used DFT method for theoretical calculations and obtained the E-V data of garnet.  helvine; X-ray diffraction of single crystal; DFT calculations HU Kailan QIN Fei PUBLIC https://creativecommons.org/publicdomain/zero/1.0/ dataset Science Data Bank