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Filtering by: Keyword BaCa2I6

Ab-initio phonon calculation for BaCa2I6 / P-31m (162) / materials id 757074

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

BaCa2I6, P-31m (162), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) / materials id 754572

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

BaCa2I6, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaCa2I6 / Pc (7) / materials id 753460

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BaCa2I6, Pc (7), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for BaCa2I6 / Pbcn (60) / materials id 766352

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

BaCa2I6, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023