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Ab-initio phonon calculation for BaSO4 / Pnma (62) / materials id 3164

Description/Abstract:

Ab-initio phonon calculation for BaSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

BaSO4, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023