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Filtering by: Funder MEXT Remove constraint Funder: MEXT Keyword Cmcm (63) Remove constraint Keyword: Cmcm (63) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) / materials id 558054

Description/Abstract:

Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Cmcm (63), Phonon, and SrLi2Ta2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BaU(SiO4)2 / Cmcm (63) / materials id 555561

Description/Abstract:

Ab-initio phonon calculation for BaU(SiO4)2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

BaU(SiO4)2, Cmcm (63), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600039

Description/Abstract:

Ab-initio phonon calculation for SiO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...

Keyword:

Cmcm (63), Phonon, and SiO2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) / materials id 644285

Description/Abstract:

Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Cmcm (63), KAlH2CO5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) / materials id 555077

Description/Abstract:

Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Cmcm (63), Phonon, and Sn2IF3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for InI / Cmcm (63) / materials id 23202

Description/Abstract:

Ab-initio phonon calculation for InI / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Cmcm (63), InI, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for CsErZnTe3 / Cmcm (63) / materials id 569107

Description/Abstract:

Ab-initio phonon calculation for CsErZnTe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmcm (63), CsErZnTe3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs2LiCl3 / Cmcm (63) / materials id 571390

Description/Abstract:

Ab-initio phonon calculation for Cs2LiCl3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

Cmcm (63), Cs2LiCl3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsSmZnSe3 / Cmcm (63) / materials id 505709

Description/Abstract:

Ab-initio phonon calculation for CsSmZnSe3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Cmcm (63), CsSmZnSe3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsTm2Cu3Se5 / Cmcm (63) / materials id 581749

Description/Abstract:

Ab-initio phonon calculation for CsTm2Cu3Se5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Cmcm (63), CsTm2Cu3Se5, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset301

Collection

MDR phonon calculation database[remove]301

Keyword

Cmcm (63)[remove]301
Phonon301
SiO25
KAl11O172
NaNbO32
more Keywords »

Publisher

NIMS301

Resource type

Dataset301

Visibility

open301

Rights Statement Sim

Creative Commons BY Attribution 4.0 International301

Data origin

simulation301

Author

Atsushi Togo301

Funder

MEXT[remove]301

Software

VASP301
phonopy301
spglib301

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