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1. Ab-initio phonon calculation for Na3H6Rh / Pnma (62) / materials id 24747

Description/Abstract:: Ab-initio phonon calculation for Na3H6Rh / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: Na3H6Rh, Phonon, and Pnma (62)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

2. Ab-initio phonon calculation for LaHO / P4/nmm (129) / materials id 28255

Description/Abstract:: Ab-initio phonon calculation for LaHO / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: LaHO, P4/nmm (129), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

3. Ab-initio phonon calculation for ZnH3CNO3 / Pna2_1 (33) / materials id 604229

Description/Abstract:: Ab-initio phonon calculation for ZnH3CNO3 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:: Phonon, Pna2_1 (33), and ZnH3CNO3
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

4. Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 624406

Description/Abstract:: Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: CdI2, P3m1 (156), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

5. Ab-initio phonon calculation for Tb2Ge2O7 / P4_12_12 (92) / materials id 14649

Description/Abstract:: Ab-initio phonon calculation for Tb2Ge2O7 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: P4_12_12 (92), Phonon, and Tb2Ge2O7
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for MgPbF6 / R-3 (148) / materials id 19734

Description/Abstract:: Ab-initio phonon calculation for MgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:: MgPbF6, Phonon, and R-3 (148)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for Rb2GeF6 / P-3m1 (164) / materials id 7949

Description/Abstract:: Ab-initio phonon calculation for Rb2GeF6 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: P-3m1 (164), Phonon, and Rb2GeF6
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 647575

Description/Abstract:: Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:: K2ZnCl4, Phonon, and Pna2_1 (33)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for Hg2AsCl2 / C2/m (12) / materials id 28224

Description/Abstract:: Ab-initio phonon calculation for Hg2AsCl2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: C2/m (12), Hg2AsCl2, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for LaWN3 / R3m (160) / materials id 989601

Description/Abstract:: Ab-initio phonon calculation for LaWN3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:: LaWN3, Phonon, and R3m (160)
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

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