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Filtering by: Software VASP Keyword K3NaRe2O9 Collection MDR phonon calculation database

Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) / materials id 541393

Description/Abstract:

Ab-initio phonon calculation for K3NaRe2O9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

K3NaRe2O9, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023