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Ab-initio phonon calculation for NaLiZr(Si2O5)3 / Cmce (64) / materials id 15543

Description/Abstract:

Ab-initio phonon calculation for NaLiZr(Si2O5)3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Cmce (64), NaLiZr(Si2O5)3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023