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Filtering by: Software VASP Remove constraint Software: VASP Keyword Ba2CaI6 Remove constraint Keyword: Ba2CaI6 Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ba2CaI6, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P321 (150) / materials id 867953

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Ba2CaI6, P321 (150), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) / materials id 766301

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2CaI6, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) / materials id 756725

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2CaI6, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for Ba2CaI6 / Pbcn (60) / materials id 766340

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba2CaI6, Pbcn (60), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) / materials id 766343

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2CaI6, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P-4b2 (117) / materials id 766351

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2CaI6, P-4b2 (117), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) / materials id 766288

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2CaI6, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

Limit your search

Type of work

Dataset8

Collection

MDR phonon calculation database[remove]8

Keyword

Ba2CaI6[remove]8
Phonon8
P2_1/c (14)4
P-4b2 (117)1
P321 (150)1
more Keywords »

Publisher

NIMS8

Resource type

Dataset8

Visibility

open8

Rights Statement Sim

Creative Commons BY Attribution 4.0 International8

Data origin

simulation8

Author

Atsushi Togo8

Funder

MEXT8

Software

VASP[remove]8
phonopy8
spglib8

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