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Filtering by: Keyword Pa-3 (205) Remove constraint Keyword: Pa-3 (205) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database Visibility open Remove constraint Visibility: open

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Ab-initio phonon calculation for ThP2O7 / Pa-3 (205) / materials id 5156

Description/Abstract:

Ab-initio phonon calculation for ThP2O7 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Pa-3 (205), Phonon, and ThP2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cd4As2I3 / Pa-3 (205) / materials id 27528

Description/Abstract:

Ab-initio phonon calculation for Cd4As2I3 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cd4As2I3, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cd7(P2Cl3)2 / Pa-3 (205) / materials id 23476

Description/Abstract:

Ab-initio phonon calculation for Cd7(P2Cl3)2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Cd7(P2Cl3)2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ag2Hg7(As2I3)2 / Pa-3 (205) / materials id 23592

Description/Abstract:

Ab-initio phonon calculation for Ag2Hg7(As2I3)2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

Ag2Hg7(As2I3)2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ca(NO3)2 / Pa-3 (205) / materials id 3142

Description/Abstract:

Ab-initio phonon calculation for Ca(NO3)2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Ca(NO3)2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SiP2O7 / Pa-3 (205) / materials id 18293

Description/Abstract:

Ab-initio phonon calculation for SiP2O7 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Pa-3 (205), Phonon, and SiP2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for In7Br9 / Pa-3 (205) / materials id 28988

Description/Abstract:

Ab-initio phonon calculation for In7Br9 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

In7Br9, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for MgTe2 / Pa-3 (205) / materials id 2604

Description/Abstract:

Ab-initio phonon calculation for MgTe2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

MgTe2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for N2 / Pa-3 (205) / materials id 25

Description/Abstract:

Ab-initio phonon calculation for N2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

N2, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Cd4P2Cl3 / Pa-3 (205) / materials id 29746

Description/Abstract:

Ab-initio phonon calculation for Cd4P2Cl3 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cd4P2Cl3, Pa-3 (205), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

25/05/2023

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Type of work

Dataset70

Collection

MDR phonon calculation database[remove]70

Keyword

Pa-3 (205)[remove]70
Phonon70
Ag(BCl)61
Ag2Hg7(As2I3)21
Al8(Pb3O7)31
more Keywords »

Publisher

NIMS70

Resource type

Dataset70

Visibility

open[remove]70

Rights Statement Sim

Creative Commons BY Attribution 4.0 International70

Data origin

simulation70

Author

Atsushi Togo70

Funder

MEXT70

Software

VASP70
phonopy70
spglib70

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