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Ab-initio phonon calculation for HfO2 / Pbca (61) / materials id 1858
Description/Abstract:
Ab-initio phonon calculation for HfO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
HfO2
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HfO2 / P2_1/c (14) / materials id 352
Description/Abstract:
Ab-initio phonon calculation for HfO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfO2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for HfO2 / Pbca (61) / materials id 775757
Description/Abstract:
Ab-initio phonon calculation for HfO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
HfO2
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for HfO2 / Pca2_1 (29) / materials id 685097
Description/Abstract:
Ab-initio phonon calculation for HfO2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfO2
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for HfO2 / Pbcn (60) / materials id 776097
Description/Abstract:
Ab-initio phonon calculation for HfO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
HfO2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HfO2 / P4_2/mnm (136) / materials id 776532
Description/Abstract:
Ab-initio phonon calculation for HfO2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
HfO2
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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6
Collection
MDR phonon calculation database
6
Keyword
HfO2
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6
Phonon
6
Pbca (61)
2
P2_1/c (14)
1
P4_2/mnm (136)
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NIMS
6
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Dataset
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Visibility
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6
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
6
Data origin
simulation
6
Author
Atsushi Togo
6
Funder
MEXT
6
Software
VASP
6
phonopy
6
spglib
6