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Filtering by: Data origin simulation Keyword Fdd2 (43)

1. Ab-initio phonon calculation for Ca(ClO3)2 / Fdd2 (43) / materials id 753813

Description/Abstract:: Ab-initio phonon calculation for Ca(ClO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Ca(ClO3)2, Fdd2 (43), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

2. Ab-initio phonon calculation for PtF4 / Fdd2 (43) / materials id 8943

Description/Abstract:: Ab-initio phonon calculation for PtF4 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:: Fdd2 (43), Phonon, and PtF4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

3. Ab-initio phonon calculation for Ba(BrO3)2 / Fdd2 (43) / materials id 28514

Description/Abstract:: Ab-initio phonon calculation for Ba(BrO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Ba(BrO3)2, Fdd2 (43), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

4. Ab-initio phonon calculation for P2O5 / Fdd2 (43) / materials id 2452

Description/Abstract:: Ab-initio phonon calculation for P2O5 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:: Fdd2 (43), P2O5, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

5. Ab-initio phonon calculation for Zr(SeCl6)2 / Fdd2 (43) / materials id 570544

Description/Abstract:: Ab-initio phonon calculation for Zr(SeCl6)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Fdd2 (43), Phonon, and Zr(SeCl6)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for CaH12(IO6)2 / Fdd2 (43) / materials id 758253

Description/Abstract:: Ab-initio phonon calculation for CaH12(IO6)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: CaH12(IO6)2, Fdd2 (43), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for Ba(ClO3)2 / Fdd2 (43) / materials id 28512

Description/Abstract:: Ab-initio phonon calculation for Ba(ClO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Ba(ClO3)2, Fdd2 (43), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for Li2Ga2GeS6 / Fdd2 (43) / materials id 554782

Description/Abstract:: Ab-initio phonon calculation for Li2Ga2GeS6 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Fdd2 (43), Li2Ga2GeS6, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 25/05/2023

9. Ab-initio phonon calculation for Sr3As4 / Fdd2 (43) / materials id 15339

Description/Abstract:: Ab-initio phonon calculation for Sr3As4 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Fdd2 (43), Phonon, and Sr3As4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 25/05/2023

10. Ab-initio phonon calculation for Sr(ClO3)2 / Fdd2 (43) / materials id 28477

Description/Abstract:: Ab-initio phonon calculation for Sr(ClO3)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Fdd2 (43), Phonon, and Sr(ClO3)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 25/05/2023