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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Im-3m (229) Remove constraint Keyword: Im-3m (229)

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Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 600033

Description/Abstract:

Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Im-3m (229), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) / materials id 28167

Description/Abstract:

Ab-initio phonon calculation for Th6CoBr15 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Im-3m (229), Phonon, and Th6CoBr15

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) / materials id 16137

Description/Abstract:

Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Im-3m (229), K4CaU3O12, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K4SrU3O12 / Im-3m (229) / materials id 22634

Description/Abstract:

Ab-initio phonon calculation for K4SrU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Im-3m (229), K4SrU3O12, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 639741

Description/Abstract:

Ab-initio phonon calculation for SiO2 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Im-3m (229), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Zr6CoCl15 / Im-3m (229) / materials id 28734

Description/Abstract:

Ab-initio phonon calculation for Zr6CoCl15 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Im-3m (229), Phonon, and Zr6CoCl15

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for LiCa4(BN2)3 / Im-3m (229) / materials id 6799

Description/Abstract:

Ab-initio phonon calculation for LiCa4(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Im-3m (229), LiCa4(BN2)3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for Ba4Na(SbO4)3 / Im-3m (229) / materials id 6273

Description/Abstract:

Ab-initio phonon calculation for Ba4Na(SbO4)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and...

Keyword:

Ba4Na(SbO4)3, Im-3m (229), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for K4BaU3O12 / Im-3m (229) / materials id 19965

Description/Abstract:

Ab-initio phonon calculation for K4BaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Im-3m (229), K4BaU3O12, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for Ba4Na(BN2)3 / Im-3m (229) / materials id 9705

Description/Abstract:

Ab-initio phonon calculation for Ba4Na(BN2)3 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Ba4Na(BN2)3, Im-3m (229), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023

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Limit your search

Type of work

Dataset16

Collection

MDR phonon calculation database16

Keyword

Im-3m (229)[remove]16
Phonon16
SiO23
Ba4Na(BN2)31
Ba4Na(SbO4)31
more Keywords »

Publisher

NIMS16

Resource type

Dataset16

Visibility

open16

Rights Statement Sim

Creative Commons BY Attribution 4.0 International16

Data origin

simulation[remove]16

Author

Atsushi Togo16

Funder

MEXT16

Software

VASP16
phonopy16
spglib16

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