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Filtering by: Keyword Cmmm (65) Remove constraint Keyword: Cmmm (65) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) / materials id 558325

Description/Abstract:

Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmmm (65), K2YNb5O15, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) / materials id 765970

Description/Abstract:

Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmmm (65), Phonon, and Ti3Sn7O20

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiO2 / Cmmm (65) / materials id 560998

Description/Abstract:

Ab-initio phonon calculation for SiO2 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Cmmm (65), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Li2MgBr4 / Cmmm (65) / materials id 29009

Description/Abstract:

Ab-initio phonon calculation for Li2MgBr4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Cmmm (65), Li2MgBr4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023
Ab-initio phonon calculation for La2CN3Cl / Cmmm (65) / materials id 567756

Description/Abstract:

Ab-initio phonon calculation for La2CN3Cl / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Cmmm (65), La2CN3Cl, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

24/05/2023
Ab-initio phonon calculation for LiLa4AuO8 / Cmmm (65) / materials id 560605

Description/Abstract:

Ab-initio phonon calculation for LiLa4AuO8 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmmm (65), LiLa4AuO8, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for KSc2F7 / Cmmm (65) / materials id 28439

Description/Abstract:

Ab-initio phonon calculation for KSc2F7 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmmm (65), KSc2F7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for Nb3O7F / Cmmm (65) / materials id 753459

Description/Abstract:

Ab-initio phonon calculation for Nb3O7F / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmmm (65), Nb3O7F, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

23/05/2023
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) / materials id 754478

Description/Abstract:

Ab-initio phonon calculation for HfZrO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmmm (65), HfZrO4, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023
Ab-initio phonon calculation for Ca3CdO4 / Cmmm (65) / materials id 755287

Description/Abstract:

Ab-initio phonon calculation for Ca3CdO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ca3CdO4, Cmmm (65), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

22/05/2023

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Limit your search

Type of work

Dataset18

Collection

MDR phonon calculation database[remove]18

Keyword

Cmmm (65)[remove]18
Phonon18
Ba2Nd7Si11N231
Ba3Na2Ti3Nb2O151
Ca3CdO41
more Keywords »

Publisher

NIMS18

Resource type

Dataset18

Visibility

open18

Rights Statement Sim

Creative Commons BY Attribution 4.0 International18

Data origin

simulation18

Author

Atsushi Togo18

Funder

MEXT18

Software

VASP18
phonopy18
spglib18

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