Index Catalog // MDR

Skip to Content

Home
About
Help
Contact
Login

Search MDR

Search Constraints

Start Over

Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Keyword Ba2CaI6 Remove constraint Keyword: Ba2CaI6 Rights Statement Sim Creative Commons BY Attribution 4.0 International Remove constraint Rights Statement Sim: Creative Commons BY Attribution 4.0 International

1 - 8 of 8

relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲

Number of results to display per page

10 per page
20 per page
50 per page
100 per page

View results as:

List Gallery Masonry Slideshow

Search Results

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

Dataset[remove]8

Collection

MDR phonon calculation database8

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 International[remove]8

Data origin

simulation8

Author

Atsushi Togo8

Funder

MEXT8

Software

VASP8
phonopy8
spglib8

National Institute for Materials Science

Research Network and Facility Services Division (RNFS)
Materials Data Platform

© 2020–2024 National Institute for Materials Science. Works are available under licenses specified on their pages.

Terms of Use
Privacy Policy
Data Platform DICE
NIMS Digital Library