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Ab-initio phonon calculation for BaI2 / P-62m (189) / materials id 568536

Description/Abstract:

Ab-initio phonon calculation for BaI2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

BaI2, P-62m (189), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for BaI2 / Pnma (62) / materials id 23260

Description/Abstract:

Ab-initio phonon calculation for BaI2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BaI2, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023