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Filtering by: Keyword Phonon Remove constraint Keyword: Phonon Keyword ZrO2 Remove constraint Keyword: ZrO2 Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755759

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Phonon, Pnma (62), and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776427

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbca (61), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) / materials id 2574

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P4_2/nmc (137), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776404

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbca (61), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for ZrO2 / I4_1/amd (141) / materials id 754403

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4_1/amd (141), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for ZrO2 / Pca2_1 (29) / materials id 556605

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Pca2_1 (29), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for ZrO2 / P2_1/c (14) / materials id 2858

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

P2_1/c (14), Phonon, and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755089

Description/Abstract:

Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Phonon, Pnma (62), and ZrO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023

Limit your search

Type of work

Dataset8

Collection

MDR phonon calculation database[remove]8

Keyword

Phonon[remove]8
ZrO2[remove]8
Pbca (61)2
Pnma (62)2
I4_1/amd (141)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

VASP8
phonopy8
spglib8

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