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Filtering by: Keyword TiO2 Remove constraint Keyword: TiO2 Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for TiO2 / Pbca (61) / materials id 1840

Description/Abstract:

Ab-initio phonon calculation for TiO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbca (61), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for TiO2 / C2/m (12) / materials id 554278

Description/Abstract:

Ab-initio phonon calculation for TiO2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

C2/m (12), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for TiO2 / I4_1/amd (141) / materials id 390

Description/Abstract:

Ab-initio phonon calculation for TiO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4_1/amd (141), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 1439

Description/Abstract:

Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbcn (60), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 775938

Description/Abstract:

Ab-initio phonon calculation for TiO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Pbcn (60), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for TiO2 / P4_2/mnm (136) / materials id 2657

Description/Abstract:

Ab-initio phonon calculation for TiO2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P4_2/mnm (136), Phonon, and TiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023

Limit your search

Type of work

Dataset6

Collection

MDR phonon calculation database[remove]6

Keyword

Phonon6
TiO2[remove]6
Pbcn (60)2
C2/m (12)1
I4_1/amd (141)1
more Keywords »

Publisher

NIMS6

Resource type

Dataset6

Visibility

open6

Rights Statement Sim

Creative Commons BY Attribution 4.0 International6

Data origin

simulation6

Author

Atsushi Togo6

Funder

MEXT6

Software

VASP6
phonopy6
spglib6

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