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Atsushi Togo
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Al2O3
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Ab-initio phonon calculation for Al2O3 / Pna2_1 (33) / materials id 2254
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Al2O3
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2O3 / P2/c (13) / materials id 759943
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2O3
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Al2O3 / Ia-3 (206) / materials id 776475
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / Ia-3 (206) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Al2O3
,
Ia-3 (206)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Al2O3 / Pbca (61) / materials id 776490
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2O3
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Al2O3 / Cmc2_1 (36) / materials id 754401
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Al2O3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Al2O3 / C2/c (15) / materials id 32570
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2O3
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Al2O3 / C2/m (12) / materials id 7048
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2O3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Al2O3 / R-3c (167) / materials id 1143
Description/Abstract:
Ab-initio phonon calculation for Al2O3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Al2O3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
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Al2O3
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Atsushi Togo
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MEXT
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VASP
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phonopy
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spglib
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