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Ab-initio phonon calculation for KNdO2 / R-3m (166) / materials id 754158

Description/Abstract:

Ab-initio phonon calculation for KNdO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

KNdO2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for KNdO2 / P6_3/mmc (194) / materials id 768864

Description/Abstract:

Ab-initio phonon calculation for KNdO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

KNdO2, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023