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Filtering by: Author Atsushi Togo Keyword R-3m (166) Collection MDR phonon calculation database

1. Ab-initio phonon calculation for NdZnPO / R-3m (166) / materials id 9518

Description/Abstract:: Ab-initio phonon calculation for NdZnPO / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: NdZnPO, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

2. Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263

Description/Abstract:: Ab-initio phonon calculation for KErTe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: KErTe2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782

Description/Abstract:: Ab-initio phonon calculation for KPrS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: KPrS2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

4. Ab-initio phonon calculation for Bi2Se3 / R-3m (166) / materials id 541837

Description/Abstract:: Ab-initio phonon calculation for Bi2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Bi2Se3, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

5. Ab-initio phonon calculation for KTmO2 / R-3m (166) / materials id 753774

Description/Abstract:: Ab-initio phonon calculation for KTmO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: KTmO2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for KPt2Se3 / R-3m (166) / materials id 14796

Description/Abstract:: Ab-initio phonon calculation for KPt2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: KPt2Se3, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for KScO2 / R-3m (166) / materials id 8188

Description/Abstract:: Ab-initio phonon calculation for KScO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: KScO2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for NaN3 / R-3m (166) / materials id 22003

Description/Abstract:: Ab-initio phonon calculation for NaN3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: NaN3, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) / materials id 24798

Description/Abstract:: Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: Phonon, R-3m (166), and Rb3B12H12Cl
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for NaHoS2 / R-3m (166) / materials id 5694

Description/Abstract:: Ab-initio phonon calculation for NaHoS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: NaHoS2, Phonon, and R-3m (166)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

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