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Ab-initio phonon calculation for KSc2F7 / Cmmm (65) / materials id 28439

Description/Abstract:

Ab-initio phonon calculation for KSc2F7 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmmm (65), KSc2F7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023