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Filtering by: Keyword P2_12_12_1 (19) Remove constraint Keyword: P2_12_12_1 (19) 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 Ba3(BN2)2 / P2_12_12_1 (19) / materials id 30905

Description/Abstract:

Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...

Keyword:

Ba3(BN2)2, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) / materials id 654956

Description/Abstract:

Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

CaAlH5, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for IO2F / P2_12_12_1 (19) / materials id 29946

Description/Abstract:

Ab-initio phonon calculation for IO2F / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

IO2F, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CsAgSe4 / P2_12_12_1 (19) / materials id 18105

Description/Abstract:

Ab-initio phonon calculation for CsAgSe4 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

CsAgSe4, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Tl3PbI5 / P2_12_12_1 (19) / materials id 23380

Description/Abstract:

Ab-initio phonon calculation for Tl3PbI5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...

Keyword:

P2_12_12_1 (19), Phonon, and Tl3PbI5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) / materials id 583071

Description/Abstract:

Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

CaAlH5, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for SnF2 / P2_12_12_1 (19) / materials id 7456

Description/Abstract:

Ab-initio phonon calculation for SnF2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P2_12_12_1 (19), Phonon, and SnF2

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for PHN2 / P2_12_12_1 (19) / materials id 697139

Description/Abstract:

Ab-initio phonon calculation for PHN2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

P2_12_12_1 (19), PHN2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for Ca3(AlN2)2 / P2_12_12_1 (19) / materials id 29820

Description/Abstract:

Ab-initio phonon calculation for Ca3(AlN2)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, a...

Keyword:

Ca3(AlN2)2, P2_12_12_1 (19), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023
Ab-initio phonon calculation for RbB3O5 / P2_12_12_1 (19) / materials id 29756

Description/Abstract:

Ab-initio phonon calculation for RbB3O5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...

Keyword:

P2_12_12_1 (19), Phonon, and RbB3O5

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

26/05/2023

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Type of work

Dataset120

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MDR phonon calculation database120

Keyword

P2_12_12_1 (19)[remove]120
Phonon120
Be(HO)22
CaAlH52
H2O2
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NIMS120

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Dataset120

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Rights Statement Sim

Creative Commons BY Attribution 4.0 International[remove]120

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simulation120

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Atsushi Togo120

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MEXT120

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VASP120
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spglib120

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