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Filtering by: Software phonopy Remove constraint Software: phonopy Keyword C2/c (15) Remove constraint Keyword: C2/c (15) Collection MDR phonon calculation database Remove constraint Collection: MDR phonon calculation database

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Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) / materials id 780246

Description/Abstract:

Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

C2/c (15), Na2Bi4O7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for YNbO4 / C2/c (15) / materials id 5387

Description/Abstract:

Ab-initio phonon calculation for YNbO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...

Keyword:

C2/c (15), Phonon, and YNbO4

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) / materials id 6175

Description/Abstract:

Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

BaLi2P2O7, C2/c (15), and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) / materials id 27033

Description/Abstract:

Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

C2/c (15), Li2SnP2O7, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs4Zr3S14 / C2/c (15) / materials id 680246

Description/Abstract:

Ab-initio phonon calculation for Cs4Zr3S14 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...

Keyword:

C2/c (15), Cs4Zr3S14, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) / materials id 556179

Description/Abstract:

Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

C2/c (15), Phonon, and Pr3Si2S8Cl

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for HgPSe3 / C2/c (15) / materials id 7293

Description/Abstract:

Ab-initio phonon calculation for HgPSe3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...

Keyword:

C2/c (15), HgPSe3, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) / materials id 582080

Description/Abstract:

Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...

Keyword:

C2/c (15), Cs3LaCl6, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Ca3(GaN2)2 / C2/c (15) / materials id 571162

Description/Abstract:

Ab-initio phonon calculation for Ca3(GaN2)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

C2/c (15), Ca3(GaN2)2, and Phonon

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023
Ab-initio phonon calculation for Rb2AgAu3I8 / C2/c (15) / materials id 570536

Description/Abstract:

Ab-initio phonon calculation for Rb2AgAu3I8 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...

Keyword:

C2/c (15), Phonon, and Rb2AgAu3I8

Resource Type:

Dataset

Data origin:

simulation

Author:

Atsushi Togo

Date Uploaded:

27/05/2023

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Dataset599

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MDR phonon calculation database[remove]599

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C2/c (15)[remove]599
Phonon599
CaSiO32
K2In3AgSe62
Li2TiO32
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Creative Commons BY Attribution 4.0 International599

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