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Filtering by: Software VASP Remove constraint Software: VASP Keyword C2/m (12) Remove constraint Keyword: C2/m (12) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886

Description/Abstract:

Ab-initio phonon calculation for Ga2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

C2/m (12), Ga2O3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KTlO / C2/m (12) / materials id 27716

Description/Abstract:

Ab-initio phonon calculation for KTlO / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

C2/m (12), KTlO, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081

Description/Abstract:

Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

C2/m (12), NaMg2H3(SO4)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BaP3 / C2/m (12) / materials id 7808

Description/Abstract:

Ab-initio phonon calculation for BaP3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

BaP3, C2/m (12), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) / materials id 558128

Description/Abstract:

Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

C2/m (12), KNd2NbO6, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) / materials id 23980

Description/Abstract:

Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

C2/m (12), Cs3H(SeO4)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LiH3O2 / C2/m (12) / materials id 27281

Description/Abstract:

Ab-initio phonon calculation for LiH3O2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

C2/m (12), LiH3O2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604

Description/Abstract:

Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ba2Mg3H10, C2/m (12), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BaBiBS4 / C2/m (12) / materials id 861618

Description/Abstract:

Ab-initio phonon calculation for BaBiBS4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

BaBiBS4, C2/m (12), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for K3GeSe3 / C2/m (12) / materials id 14435

Description/Abstract:

Ab-initio phonon calculation for K3GeSe3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

C2/m (12), K3GeSe3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset368

Collection

MDR phonon calculation database[remove]368

Keyword

C2/m (12)[remove]368
Phonon368
Li2TeO32
LiSbO32
Na5ReO62
more Keywords »

Publisher

NIMS368

Resource type

Dataset368

Visibility

open368

Rights Statement Sim

Creative Commons BY Attribution 4.0 International368

Data origin

simulation368

Author

Atsushi Togo368

Funder

MEXT368

Software

VASP[remove]368
phonopy368
spglib368

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