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Filtering by: Type of work Dataset Keyword Phonon Keyword R-3c (167) Rights Statement Sim Creative Commons BY Attribution 4.0 International

1. Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233

Description/Abstract:: Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: NaSr3RuO6, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

2. Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) / materials id 758868

Description/Abstract:: Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: MgBP(H3O4)2, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. Ab-initio phonon calculation for Li4H6Os / R-3c (167) / materials id 642996

Description/Abstract:: Ab-initio phonon calculation for Li4H6Os / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Li4H6Os, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

4. Ab-initio phonon calculation for Rb3CO3F / R-3c (167) / materials id 8774

Description/Abstract:: Ab-initio phonon calculation for Rb3CO3F / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Phonon, R-3c (167), and Rb3CO3F
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

5. Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) / materials id 541282

Description/Abstract:: Ab-initio phonon calculation for KZr2(AsO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: KZr2(AsO4)3, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) / materials id 541238

Description/Abstract:: Ab-initio phonon calculation for KTi2(PO4)3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: KTi2(PO4)3, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for Rh2O3 / R-3c (167) / materials id 542734

Description/Abstract:: Ab-initio phonon calculation for Rh2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: Phonon, R-3c (167), and Rh2O3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for Li3CuS2 / R-3c (167) / materials id 867700

Description/Abstract:: Ab-initio phonon calculation for Li3CuS2 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Li3CuS2, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for AlF3 / R-3c (167) / materials id 468

Description/Abstract:: Ab-initio phonon calculation for AlF3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: AlF3, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) / materials id 10299

Description/Abstract:: Ab-initio phonon calculation for Ca4PdO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Ca4PdO6, Phonon, and R-3c (167)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

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