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Al(HO)3
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Ab-initio phonon calculation for Al(HO)3 / P2_12_12_1 (19) / materials id 985293
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Al(HO)3
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 27540
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al(HO)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Al(HO)3 / Pbca (61) / materials id 626605
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Al(HO)3
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Al(HO)3 / Cm (8) / materials id 626497
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Al(HO)3
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 625739
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al(HO)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 560196
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al(HO)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) / materials id 560572
Description/Abstract:
Ab-initio phonon calculation for Al(HO)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al(HO)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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7
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MDR phonon calculation database
7
Keyword
Al(HO)3
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Cm (8)
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NIMS
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Creative Commons BY Attribution 4.0 International
7
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7
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Atsushi Togo
7
Funder
MEXT
7
Software
VASP
7
phonopy
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spglib
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