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Filtering by: Data origin simulation Keyword Ca2BN2Cl Collection MDR phonon calculation database

1. Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) / materials id 23632

Description/Abstract:: Ab-initio phonon calculation for Ca2BN2Cl / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Ca2BN2Cl, Phonon, and Pnma (62)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 18/05/2023