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Filtering by: Software phonopy Keyword Ca7(H6Cl)2 Collection MDR phonon calculation database

1. Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) / materials id 984055

Description/Abstract:: Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Ca7(H6Cl)2, P-6 (174), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023