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Filtering by: Data origin simulation Remove constraint Data origin: simulation Keyword BaTiO3 Remove constraint Keyword: BaTiO3

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Ab-initio phonon calculation for BaTiO3 / C222_1 (20) / materials id 558125

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

BaTiO3, C222_1 (20), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for BaTiO3 / R3m (160) / materials id 5020

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

BaTiO3, Phonon, and R3m (160)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 12992

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

BaTiO3, P4mm (99), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

18/05/2023
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) / materials id 5933

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

BaTiO3, P6_3/mmc (194), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

17/05/2023
Ab-initio phonon calculation for BaTiO3 / Amm2 (38) / materials id 5777

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / Amm2 (38) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

Amm2 (38), BaTiO3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 5986

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

BaTiO3, P4mm (99), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) / materials id 2998

Description/Abstract:

Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

BaTiO3, Phonon, and Pm-3m (221)

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

15/05/2023

Limit your search

Type of work

Dataset7

Collection

MDR phonon calculation database7

Keyword

BaTiO3[remove]7
Phonon7
P4mm (99)2
Amm2 (38)1
C222_1 (20)1
more Keywords »

Publisher

NIMS7

Resource type

Dataset7

Visibility

open7

Rights Statement Sim

Creative Commons BY Attribution 4.0 International7

Data origin

simulation[remove]7

Author

Atsushi Togo7

Funder

MEXT7

Software

VASP7
phonopy7
spglib7

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