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Filtering by: Data origin simulation Keyword CuCl Collection MDR phonon calculation database

1. Ab-initio phonon calculation for CuCl / F-43m (216) / materials id 22914

Description/Abstract:: Ab-initio phonon calculation for CuCl / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: CuCl, F-43m (216), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

2. Ab-initio phonon calculation for CuCl / Pa-3 (205) / materials id 23287

Description/Abstract:: Ab-initio phonon calculation for CuCl / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: CuCl, Pa-3 (205), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 15/05/2023