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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword Fd-3m (227) Remove constraint Keyword: Fd-3m (227) Publisher NIMS Remove constraint Publisher: NIMS Rights Statement Sim Creative Commons BY Attribution 4.0 International Remove constraint Rights Statement Sim: Creative Commons BY Attribution 4.0 International

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Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766

Description/Abstract:

Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

CaIn2O4, Fd-3m (227), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) / materials id 754646

Description/Abstract:

Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Dy2Ge2O7, Fd-3m (227), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Sm2Pt2O7 / Fd-3m (227) / materials id 756148

Description/Abstract:

Ab-initio phonon calculation for Sm2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Fd-3m (227), Phonon, and Sm2Pt2O7

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ho2Hf2O7 / Fd-3m (227) / materials id 554082

Description/Abstract:

Ab-initio phonon calculation for Ho2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Fd-3m (227), Ho2Hf2O7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Sb2O3 / Fd-3m (227) / materials id 1999

Description/Abstract:

Ab-initio phonon calculation for Sb2O3 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

Fd-3m (227), Phonon, and Sb2O3

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for La2Hf2O7 / Fd-3m (227) / materials id 12533

Description/Abstract:

Ab-initio phonon calculation for La2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Fd-3m (227), La2Hf2O7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsAlO2 / Fd-3m (227) / materials id 14069

Description/Abstract:

Ab-initio phonon calculation for CsAlO2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

CsAlO2, Fd-3m (227), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Mg(ScS2)2 / Fd-3m (227) / materials id 14307

Description/Abstract:

Ab-initio phonon calculation for Mg(ScS2)2 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...

Keyword:

Fd-3m (227), Mg(ScS2)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for As2O3 / Fd-3m (227) / materials id 2184

Description/Abstract:

Ab-initio phonon calculation for As2O3 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...

Keyword:

As2O3, Fd-3m (227), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Dy2Hf2O7 / Fd-3m (227) / materials id 3611

Description/Abstract:

Ab-initio phonon calculation for Dy2Hf2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

Dy2Hf2O7, Fd-3m (227), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset142

Collection

MDR phonon calculation database142

Keyword

Fd-3m (227)[remove]142
Phonon142
Al2CdO41
Al2CdSe41
Al2ZnO41
more Keywords »

Publisher

NIMS[remove]142

Resource type

Dataset142

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open142

Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]142

Data origin

simulation142

Author

Atsushi Togo142

Funder

MEXT142

Software

VASP142
phonopy[remove]142
spglib142

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