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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Fm-3m (225) Remove constraint Keyword: Fm-3m (225) Rights Statement Sim Creative Commons BY Attribution 4.0 International Remove constraint Rights Statement Sim: Creative Commons BY Attribution 4.0 International

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Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465

Description/Abstract:

Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Cs2TeCl6, Fm-3m (225), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) / materials id 6065

Description/Abstract:

Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Fm-3m (225), Phonon, and Sr2GaSbO6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for MgO / Fm-3m (225) / materials id 1265

Description/Abstract:

Ab-initio phonon calculation for MgO / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Fm-3m (225), MgO, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) / materials id 12637

Description/Abstract:

Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ba2NdNbO6, Fm-3m (225), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) / materials id 6265

Description/Abstract:

Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Fm-3m (225), Phonon, and TbBa2SbO6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) / materials id 541097

Description/Abstract:

Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Fm-3m (225), Phonon, and Zr3Pb(O2F3)2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) / materials id 29008

Description/Abstract:

Ab-initio phonon calculation for Li6MgBr8 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Fm-3m (225), Li6MgBr8, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) / materials id 6037

Description/Abstract:

Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Ba2SmSbO6, Fm-3m (225), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sr2SnHg / Fm-3m (225) / materials id 867169

Description/Abstract:

Ab-initio phonon calculation for Sr2SnHg / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Fm-3m (225), Phonon, and Sr2SnHg

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbI / Fm-3m (225) / materials id 22903

Description/Abstract:

Ab-initio phonon calculation for RbI / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Fm-3m (225), Phonon, and RbI

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset332

Collection

MDR phonon calculation database332

Keyword

Fm-3m (225)[remove]332
Phonon332
SnH8(NCl3)22
AgBr1
AgCl1
more Keywords »

Publisher

NIMS332

Resource type

Dataset332

Visibility

open332

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]332

Data origin

simulation[remove]332

Author

Atsushi Togo332

Funder

MEXT332

Software

VASP332
phonopy332
spglib332

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