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Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153

Description/Abstract:

Ab-initio phonon calculation for XeF3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2_1/c (14), Phonon, and XeF3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023