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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Immm (71) Remove constraint Keyword: Immm (71)

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Ab-initio phonon calculation for CsLi2Cl3 / Immm (71) / materials id 569117

Description/Abstract:

Ab-initio phonon calculation for CsLi2Cl3 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

CsLi2Cl3, Immm (71), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K2Li14Pb3O14 / Immm (71) / materials id 504806

Description/Abstract:

Ab-initio phonon calculation for K2Li14Pb3O14 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Immm (71), K2Li14Pb3O14, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ThNb4O12 / Immm (71) / materials id 862893

Description/Abstract:

Ab-initio phonon calculation for ThNb4O12 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Immm (71), Phonon, and ThNb4O12

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbO / Immm (71) / materials id 7895

Description/Abstract:

Ab-initio phonon calculation for RbO / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Immm (71), Phonon, and RbO

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for LiLa2HO3 / Immm (71) / materials id 24148

Description/Abstract:

Ab-initio phonon calculation for LiLa2HO3 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Immm (71), LiLa2HO3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for Rb2Li14Pb3O14 / Immm (71) / materials id 504810

Description/Abstract:

Ab-initio phonon calculation for Rb2Li14Pb3O14 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

Immm (71), Phonon, and Rb2Li14Pb3O14

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for Ba6Mg7H26 / Immm (71) / materials id 697671

Description/Abstract:

Ab-initio phonon calculation for Ba6Mg7H26 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba6Mg7H26, Immm (71), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for CsS / Immm (71) / materials id 29266

Description/Abstract:

Ab-initio phonon calculation for CsS / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

CsS, Immm (71), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for CsLi2Br3 / Immm (71) / materials id 606680

Description/Abstract:

Ab-initio phonon calculation for CsLi2Br3 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

CsLi2Br3, Immm (71), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for TlPS3 / Immm (71) / materials id 8249

Description/Abstract:

Ab-initio phonon calculation for TlPS3 / Immm (71) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Immm (71), Phonon, and TlPS3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023

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Type of work

Dataset43

Collection

MDR phonon calculation database43

Keyword

Immm (71)[remove]43
Phonon43
Ba3Sr4O71
Ba6Mg7F261
Ba6Mg7H261
more Keywords »

Publisher

NIMS43

Resource type

Dataset43

Visibility

open43

Rights Statement Sim

Creative Commons BY Attribution 4.0 International43

Data origin

simulation[remove]43

Author

Atsushi Togo43

Funder

MEXT43

Software

VASP43
phonopy43
spglib43

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