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Filtering by: Keyword I4_1/a (88) Rights Statement Sim Creative Commons BY Attribution 4.0 International

1. Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) / materials id 28995

Description/Abstract:: Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: I4_1/a (88), Phonon, and Si(CuP2)4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

2. Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700

Description/Abstract:: Ab-initio phonon calculation for LiYF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: I4_1/a (88), LiYF4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 27/05/2023

3. Ab-initio phonon calculation for SmAsO4 / I4_1/a (88) / materials id 13530

Description/Abstract:: Ab-initio phonon calculation for SmAsO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: I4_1/a (88), Phonon, and SmAsO4
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

4. Ab-initio phonon calculation for Zn(CuO2)2 / I4_1/a (88) / materials id 752451

Description/Abstract:: Ab-initio phonon calculation for Zn(CuO2)2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: I4_1/a (88), Phonon, and Zn(CuO2)2
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

5. Ab-initio phonon calculation for NaIO4 / I4_1/a (88) / materials id 27401

Description/Abstract:: Ab-initio phonon calculation for NaIO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:: I4_1/a (88), NaIO4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

6. Ab-initio phonon calculation for NaLi3GeO4 / I4_1/a (88) / materials id 561254

Description/Abstract:: Ab-initio phonon calculation for NaLi3GeO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:: I4_1/a (88), NaLi3GeO4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

7. Ab-initio phonon calculation for KAl(SiO3)2 / I4_1/a (88) / materials id 554433

Description/Abstract:: Ab-initio phonon calculation for KAl(SiO3)2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:: I4_1/a (88), KAl(SiO3)2, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

8. Ab-initio phonon calculation for KTlCl4 / I4_1/a (88) / materials id 27385

Description/Abstract:: Ab-initio phonon calculation for KTlCl4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: I4_1/a (88), KTlCl4, and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

9. Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) / materials id 561068

Description/Abstract:: Ab-initio phonon calculation for BiAsO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:: BiAsO4, I4_1/a (88), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023

10. Ab-initio phonon calculation for CaAl2Si(HO2)4 / I4_1/a (88) / materials id 643941

Description/Abstract:: Ab-initio phonon calculation for CaAl2Si(HO2)4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:: CaAl2Si(HO2)4, I4_1/a (88), and Phonon
Resource Type:: Dataset
Data origin:: simulation
Author:: Atsushi Togo
Date Uploaded:: 26/05/2023