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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword P4_2/mnm (136) Remove constraint Keyword: P4_2/mnm (136)

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Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731

Description/Abstract:

Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Ba2CaI6, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) / materials id 557738

Description/Abstract:

Ab-initio phonon calculation for Li3BiO4 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Li3BiO4, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) / materials id 643010

Description/Abstract:

Ab-initio phonon calculation for Cs2H4Pt / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Cs2H4Pt, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) / materials id 862868

Description/Abstract:

Ab-initio phonon calculation for PbBr2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P4_2/mnm (136), PbBr2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) / materials id 756131

Description/Abstract:

Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P4_2/mnm (136), Phonon, and Sr2CaI6

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) / materials id 754224

Description/Abstract:

Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

BaSr2I6, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2Na4Be2O5 / P4_2/mnm (136) / materials id 14324

Description/Abstract:

Ab-initio phonon calculation for K2Na4Be2O5 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

K2Na4Be2O5, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) / materials id 1873

Description/Abstract:

Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P4_2/mnm (136), Phonon, and ZnF2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) / materials id 754572

Description/Abstract:

Ab-initio phonon calculation for BaCa2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

BaCa2I6, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Na3AuO3 / P4_2/mnm (136) / materials id 768915

Description/Abstract:

Ab-initio phonon calculation for Na3AuO3 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Na3AuO3, P4_2/mnm (136), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset73

Collection

MDR phonon calculation database73

Keyword

P4_2/mnm (136)[remove]73
Phonon73
Ba2CaI61
Ba2SrI61
Ba3Zr2S71
more Keywords »

Publisher

NIMS73

Resource type

Dataset73

Visibility

open73

Rights Statement Sim

Creative Commons BY Attribution 4.0 International73

Data origin

simulation[remove]73

Author

Atsushi Togo73

Funder

MEXT73

Software

VASP73
phonopy73
spglib73

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