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Ab-initio phonon calculation for Ba3YI9 / Pc (7) / materials id 772018

Description/Abstract:

Ab-initio phonon calculation for Ba3YI9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Ba3YI9, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023