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Ba3(BrO)2
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Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) / materials id 779533
Description/Abstract:
Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba3(BrO)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) / materials id 756942
Description/Abstract:
Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba3(BrO)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba3(BrO)2 / P2_1/c (14) / materials id 771008
Description/Abstract:
Ab-initio phonon calculation for Ba3(BrO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba3(BrO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) / materials id 771161
Description/Abstract:
Ab-initio phonon calculation for Ba3(BrO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba3(BrO)2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba3(BrO)2 / P2_1/c (14) / materials id 752648
Description/Abstract:
Ab-initio phonon calculation for Ba3(BrO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba3(BrO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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5
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MDR phonon calculation database
5
Keyword
Ba3(BrO)2
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5
Phonon
5
Pnma (62)
3
P2_1/c (14)
2
Publisher
NIMS
5
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Dataset
5
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open
5
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
5
Data origin
simulation
5
Author
Atsushi Togo
5
Funder
MEXT
5
Software
VASP
5
phonopy
5
spglib
5