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Filtering by: Author Atsushi Togo Keyword Pbcn (60) Collection MDR phonon calculation database

1. Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624

Description/Abstract:: Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Ba2SrI6, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

2. Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) / materials id 8985

Description/Abstract:: Ab-initio phonon calculation for Ba2YC2(O2F)3 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: Ba2YC2(O2F)3, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. Ab-initio phonon calculation for Th2S5 / Pbcn (60) / materials id 1666

Description/Abstract:: Ab-initio phonon calculation for Th2S5 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: Pbcn (60), Phonon, and Th2S5
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

4. Ab-initio phonon calculation for Na2TeO4 / Pbcn (60) / materials id 27537

Description/Abstract:: Ab-initio phonon calculation for Na2TeO4 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Na2TeO4, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

5. Ab-initio phonon calculation for Bi2Te2O7 / Pbcn (60) / materials id 667426

Description/Abstract:: Ab-initio phonon calculation for Bi2Te2O7 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Bi2Te2O7, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for Ca4Al6O13 / Pbcn (60) / materials id 680193

Description/Abstract:: Ab-initio phonon calculation for Ca4Al6O13 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: Ca4Al6O13, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for MgH2 / Pbcn (60) / materials id 23711

Description/Abstract:: Ab-initio phonon calculation for MgH2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:: MgH2, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for Na2Ti2O5 / Pbcn (60) / materials id 781948

Description/Abstract:: Ab-initio phonon calculation for Na2Ti2O5 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: Na2Ti2O5, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for K3P11 / Pbcn (60) / materials id 1568

Description/Abstract:: Ab-initio phonon calculation for K3P11 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: K3P11, Pbcn (60), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for Rh2O3 / Pbcn (60) / materials id 1716

Description/Abstract:: Ab-initio phonon calculation for Rh2O3 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: Pbcn (60), Phonon, and Rh2O3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

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