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Filtering by: Keyword BaCO3 Collection MDR phonon calculation database

Ab-initio phonon calculation for BaCO3 / R3m (160) / materials id 4559

Description/Abstract:

Ab-initio phonon calculation for BaCO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

BaCO3, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for BaCO3 / P2_1 (4) / materials id 762225

Description/Abstract:

Ab-initio phonon calculation for BaCO3 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BaCO3, P2_1 (4), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for BaCO3 / Pnma (62) / materials id 5504

Description/Abstract:

Ab-initio phonon calculation for BaCO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

BaCO3, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for BaCO3 / C2/m (12) / materials id 676020

Description/Abstract:

Ab-initio phonon calculation for BaCO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

BaCO3, C2/m (12), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023