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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword Aem2 (39) Remove constraint Keyword: Aem2 (39)

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Ab-initio phonon calculation for Li5V5Cl16 / Aem2 (39) / materials id 532443

Description/Abstract:

Ab-initio phonon calculation for Li5V5Cl16 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Aem2 (39), Li5V5Cl16, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl3In2Se5 / Aem2 (39) / materials id 686102

Description/Abstract:

Ab-initio phonon calculation for Tl3In2Se5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Aem2 (39), Phonon, and Tl3In2Se5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for Bi2TeO5 / Aem2 (39) / materials id 23334

Description/Abstract:

Ab-initio phonon calculation for Bi2TeO5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Aem2 (39), Bi2TeO5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for LiHO / Aem2 (39) / materials id 625998

Description/Abstract:

Ab-initio phonon calculation for LiHO / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Aem2 (39), LiHO, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Bi2SeO5 / Aem2 (39) / materials id 29839

Description/Abstract:

Ab-initio phonon calculation for Bi2SeO5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Aem2 (39), Bi2SeO5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for GaH3NF3 / Aem2 (39) / materials id 643759

Description/Abstract:

Ab-initio phonon calculation for GaH3NF3 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Aem2 (39), GaH3NF3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023
Ab-initio phonon calculation for TlF / Aem2 (39) / materials id 558134

Description/Abstract:

Ab-initio phonon calculation for TlF / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Aem2 (39), Phonon, and TlF

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

16/05/2023

Limit your search

Type of work

Dataset7

Collection

MDR phonon calculation database7

Keyword

Aem2 (39)[remove]7
Phonon7
Bi2SeO51
Bi2TeO51
GaH3NF31
more Keywords »

Publisher

NIMS7

Resource type

Dataset7

Visibility

open7

Rights Statement Sim

Creative Commons BY Attribution 4.0 International7

Data origin

simulation[remove]7

Author

Atsushi Togo7

Funder

MEXT7

Software

VASP7
phonopy7
spglib7

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