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Filtering by: Type of work Dataset Remove constraint Type of work: Dataset Keyword R3m (160) Remove constraint Keyword: R3m (160)

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Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107

Description/Abstract:

Ab-initio phonon calculation for Ga3PO7 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Ga3PO7, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for La2Th5O13 / R3m (160) / materials id 756142

Description/Abstract:

Ab-initio phonon calculation for La2Th5O13 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

La2Th5O13, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for NdH3(CO2)3 / R3m (160) / materials id 23837

Description/Abstract:

Ab-initio phonon calculation for NdH3(CO2)3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

NdH3(CO2)3, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for NaCNO / R3m (160) / materials id 546500

Description/Abstract:

Ab-initio phonon calculation for NaCNO / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

NaCNO, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for TlIO3 / R3m (160) / materials id 22981

Description/Abstract:

Ab-initio phonon calculation for TlIO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Phonon, R3m (160), and TlIO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ba3GeO5 / R3m (160) / materials id 770959

Description/Abstract:

Ab-initio phonon calculation for Ba3GeO5 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Ba3GeO5, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for ZnS / R3m (160) / materials id 555763

Description/Abstract:

Ab-initio phonon calculation for ZnS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

Phonon, R3m (160), and ZnS

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for KHS / R3m (160) / materials id 38011

Description/Abstract:

Ab-initio phonon calculation for KHS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...

Keyword:

KHS, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbIO3 / R3m (160) / materials id 27193

Description/Abstract:

Ab-initio phonon calculation for RbIO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

Phonon, R3m (160), and RbIO3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / R3m (160) / materials id 753846

Description/Abstract:

Ab-initio phonon calculation for Mg(GaO2)2 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

Mg(GaO2)2, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset[remove]85

Collection

MDR phonon calculation database85

Keyword

Phonon85
R3m (160)[remove]85
ZnS13
MgAl2O45
SiC5
more Keywords »

Publisher

NIMS85

Resource type

Dataset85

Visibility

open85

Rights Statement Sim

Creative Commons BY Attribution 4.0 International85

Data origin

simulation85

Author

Atsushi Togo85

Funder

MEXT85

Software

VASP85
phonopy85
spglib85

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