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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword P2_1/c (14) Remove constraint Keyword: P2_1/c (14) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710

Description/Abstract:

Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

KPr3Te8, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) / materials id 557758

Description/Abstract:

Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

LaMg(BO2)5, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719

Description/Abstract:

Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

LiPr(SO4)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) / materials id 15520

Description/Abstract:

Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P2_1/c (14), Phonon, and TbZn(BO2)5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) / materials id 17196

Description/Abstract:

Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

P2_1/c (14), Phonon, and TiAs2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) / materials id 684015

Description/Abstract:

Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Bi9AuBr9, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) / materials id 17446

Description/Abstract:

Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

P2_1/c (14), Phonon, and PrPtF7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 556423

Description/Abstract:

Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Na2Si2O5, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) / materials id 13602

Description/Abstract:

Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

Cd3(AsO4)2, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) / materials id 17651

Description/Abstract:

Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

HoPtF7, P2_1/c (14), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023

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Type of work

Dataset1,072

Collection

MDR phonon calculation database[remove]1,072

Keyword

P2_1/c (14)[remove]1,072
Phonon1,072
Al(HO)34
Ba(HO)24
Ba2CaI64
more Keywords »

Publisher

NIMS1,072

Resource type

Dataset1,072

Visibility

open1,072

Rights Statement Sim

Creative Commons BY Attribution 4.0 International1,072

Data origin

simulation1,072

Author

Atsushi Togo1,072

Funder

MEXT1,072

Software

VASP1,072
phonopy[remove]1,072
spglib1,072

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