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Filtering by: Collection MDR phonon calculation database Resource type Dataset Rights Statement Sim Creative Commons BY Attribution 4.0 International

1. Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214

Description/Abstract:: Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: CsSnBr3, Phonon, and Pm-3m (221)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

2. Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004

Description/Abstract:: Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: I4/mmm (139), Phonon, and Rb4Br2O
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. 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

4. Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) / materials id 17894

Description/Abstract:: Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: P2_1 (4), Phonon, and Rb3Sm(PS4)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

5. Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) / materials id 6391

Description/Abstract:: Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Na2ZnSiO4, Pc (7), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

6. Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338

Description/Abstract:: Ab-initio phonon calculation for ZnSeO3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Pbca (61), Phonon, and ZnSeO3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

7. Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742

Description/Abstract:: Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: BaAgTeF, P4/nmm (129), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

8. Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766

Description/Abstract:: Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: CaIn2O4, Fd-3m (227), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

9. Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412

Description/Abstract:: Ab-initio phonon calculation for In(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: In(HO)3, Phonon, and R-3 (148)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

10. Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465

Description/Abstract:: Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Cs2TeCl6, Fm-3m (225), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

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