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Filtering by: Author Atsushi Togo Keyword C2/m (12) Collection MDR phonon calculation database

1. 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

2. 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

3. 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

4. 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

5. 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

6. 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

7. 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

8. 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

9. 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

10. 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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