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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword I4/mcm (140) Remove constraint Keyword: I4/mcm (140)

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Ab-initio phonon calculation for Ba3SiO5 / I4/mcm (140) / materials id 7765

Description/Abstract:

Ab-initio phonon calculation for Ba3SiO5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Ba3SiO5, I4/mcm (140), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KAuF4 / I4/mcm (140) / materials id 5309

Description/Abstract:

Ab-initio phonon calculation for KAuF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

I4/mcm (140), KAuF4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sr3SiO5 / I4/mcm (140) / materials id 979932

Description/Abstract:

Ab-initio phonon calculation for Sr3SiO5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4/mcm (140), Phonon, and Sr3SiO5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for RbPb2Br5 / I4/mcm (140) / materials id 23043

Description/Abstract:

Ab-initio phonon calculation for RbPb2Br5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

I4/mcm (140), Phonon, and RbPb2Br5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiO2 / I4/mcm (140) / materials id 554543

Description/Abstract:

Ab-initio phonon calculation for SiO2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

I4/mcm (140), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K3ZnH5 / I4/mcm (140) / materials id 643270

Description/Abstract:

Ab-initio phonon calculation for K3ZnH5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4/mcm (140), K3ZnH5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2SnTe5 / I4/mcm (140) / materials id 28080

Description/Abstract:

Ab-initio phonon calculation for K2SnTe5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

I4/mcm (140), K2SnTe5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbBa4Sb3O / I4/mcm (140) / materials id 559270

Description/Abstract:

Ab-initio phonon calculation for RbBa4Sb3O / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

I4/mcm (140), Phonon, and RbBa4Sb3O

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbAuF4 / I4/mcm (140) / materials id 3419

Description/Abstract:

Ab-initio phonon calculation for RbAuF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

I4/mcm (140), Phonon, and RbAuF4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) / materials id 557233

Description/Abstract:

Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

AlTlF4, I4/mcm (140), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset98

Collection

MDR phonon calculation database98

Keyword

I4/mcm (140)[remove]98
Phonon98
AgAs(XeF5)21
AgAuF41
AgP(XeF5)21
more Keywords »

Publisher

NIMS98

Resource type

Dataset98

Visibility

open98

Rights Statement Sim

Creative Commons BY Attribution 4.0 International98

Data origin

simulation[remove]98

Author

Atsushi Togo98

Funder

MEXT98

Software

VASP98
phonopy98
spglib98

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