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Filtering by: Keyword CaSO4 Keyword P6_222 (180) Collection MDR phonon calculation database

1. Ab-initio phonon calculation for CaSO4 / P6_222 (180) / materials id 3082

Description/Abstract:: Ab-initio phonon calculation for CaSO4 / P6_222 (180) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: CaSO4, P6_222 (180), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023