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Filtering by: Software VASP Remove constraint Software: VASP Keyword R-3m (166) Remove constraint Keyword: R-3m (166) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for NdZnPO / R-3m (166) / materials id 9518

Description/Abstract:

Ab-initio phonon calculation for NdZnPO / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

NdZnPO, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263

Description/Abstract:

Ab-initio phonon calculation for KErTe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

KErTe2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782

Description/Abstract:

Ab-initio phonon calculation for KPrS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

KPrS2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Bi2Se3 / R-3m (166) / materials id 541837

Description/Abstract:

Ab-initio phonon calculation for Bi2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Bi2Se3, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KTmO2 / R-3m (166) / materials id 753774

Description/Abstract:

Ab-initio phonon calculation for KTmO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

KTmO2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KPt2Se3 / R-3m (166) / materials id 14796

Description/Abstract:

Ab-initio phonon calculation for KPt2Se3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

KPt2Se3, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KScO2 / R-3m (166) / materials id 8188

Description/Abstract:

Ab-initio phonon calculation for KScO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

KScO2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for NaN3 / R-3m (166) / materials id 22003

Description/Abstract:

Ab-initio phonon calculation for NaN3 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

NaN3, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) / materials id 24798

Description/Abstract:

Ab-initio phonon calculation for Rb3B12H12Cl / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Phonon, R-3m (166), and Rb3B12H12Cl

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for NaHoS2 / R-3m (166) / materials id 5694

Description/Abstract:

Ab-initio phonon calculation for NaHoS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

NaHoS2, Phonon, and R-3m (166)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset315

Collection

MDR phonon calculation database[remove]315

Keyword

Phonon315
R-3m (166)[remove]315
CdI24
PbI23
BiOF2
more Keywords »

Publisher

NIMS315

Resource type

Dataset315

Visibility

open315

Rights Statement Sim

Creative Commons BY Attribution 4.0 International315

Data origin

simulation315

Author

Atsushi Togo315

Funder

MEXT315

Software

VASP[remove]315
phonopy315
spglib315

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