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Filtering by: Software VASP Keyword Pbca (61) Rights Statement Sim Creative Commons BY Attribution 4.0 International

1. 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

2. Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) / materials id 505121

Description/Abstract:: Ab-initio phonon calculation for Na2Hg3S4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Na2Hg3S4, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262

Description/Abstract:: Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: K5YO4, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

4. Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369

Description/Abstract:: Ab-initio phonon calculation for Ca2Zr5Ti2O16 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: Ca2Zr5Ti2O16, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

5. Ab-initio phonon calculation for Na5TlO4 / Pbca (61) / materials id 7652

Description/Abstract:: Ab-initio phonon calculation for Na5TlO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Na5TlO4, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for Tl2PS3 / Pbca (61) / materials id 28217

Description/Abstract:: Ab-initio phonon calculation for Tl2PS3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Pbca (61), Phonon, and Tl2PS3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) / materials id 559109

Description/Abstract:: Ab-initio phonon calculation for ErGeBiO5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: ErGeBiO5, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) / materials id 542678

Description/Abstract:: Ab-initio phonon calculation for AlAs(H2O3)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: AlAs(H2O3)2, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for Na5GaO4 / Pbca (61) / materials id 7656

Description/Abstract:: Ab-initio phonon calculation for Na5GaO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Na5GaO4, Pbca (61), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) / materials id 31287

Description/Abstract:: Ab-initio phonon calculation for Tl3PdBr5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Pbca (61), Phonon, and Tl3PdBr5
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

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