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Filtering by: Keyword I4/mmm (139) Remove constraint Keyword: I4/mmm (139) Keyword Phonon Remove constraint Keyword: Phonon Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004

Description/Abstract:

Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4/mmm (139), Phonon, and Rb4Br2O

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) / materials id 551873

Description/Abstract:

Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Ca4Bi2O, I4/mmm (139), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211

Description/Abstract:

Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I4/mmm (139), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) / materials id 567776

Description/Abstract:

Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Cs2AgAuCl6, I4/mmm (139), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) / materials id 5532

Description/Abstract:

Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4/mmm (139), Phonon, and Sr2TiO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Sr3Hf2O7 / I4/mmm (139) / materials id 779517

Description/Abstract:

Ab-initio phonon calculation for Sr3Hf2O7 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

I4/mmm (139), Phonon, and Sr3Hf2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbAgO / I4/mmm (139) / materials id 8603

Description/Abstract:

Ab-initio phonon calculation for RbAgO / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I4/mmm (139), Phonon, and RbAgO

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2MgF4 / I4/mmm (139) / materials id 31212

Description/Abstract:

Ab-initio phonon calculation for K2MgF4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4/mmm (139), K2MgF4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Y2TeO2 / I4/mmm (139) / materials id 755756

Description/Abstract:

Ab-initio phonon calculation for Y2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4/mmm (139), Phonon, and Y2TeO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for LiCuO / I4/mmm (139) / materials id 5127

Description/Abstract:

Ab-initio phonon calculation for LiCuO / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I4/mmm (139), LiCuO, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset146

Collection

MDR phonon calculation database[remove]146

Keyword

I4/mmm (139)[remove]146
Phonon[remove]146
SiO24
Ba(CuS)21
Ba2HfO41
more Keywords »

Publisher

NIMS146

Resource type

Dataset146

Visibility

open146

Rights Statement Sim

Creative Commons BY Attribution 4.0 International146

Data origin

simulation146

Author

Atsushi Togo146

Funder

MEXT146

Software

VASP146
phonopy146
spglib146

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