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Filtering by: Data origin simulation Keyword Ba3AlF9

Ab-initio phonon calculation for Ba3AlF9 / Pnc2 (30) / materials id 555438

Description/Abstract:

Ab-initio phonon calculation for Ba3AlF9 / Pnc2 (30) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba3AlF9, Phonon, and Pnc2 (30)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) / materials id 556863

Description/Abstract:

Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba3AlF9, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) / materials id 28642

Description/Abstract:

Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba3AlF9, Phonon, and Pnma (62)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023