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ZrO2
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Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755759
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776427
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) / materials id 2574
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/nmc (137)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776404
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for ZrO2 / I4_1/amd (141) / materials id 754403
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4_1/amd (141)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for ZrO2 / Pca2_1 (29) / materials id 556605
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pca2_1 (29)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for ZrO2 / P2_1/c (14) / materials id 2858
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755089
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
8
Keyword
Phonon
8
ZrO2
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Pbca (61)
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Pnma (62)
2
I4_1/amd (141)
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NIMS
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Rights Statement Sim
Creative Commons BY Attribution 4.0 International
8
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simulation
8
Author
Atsushi Togo
8
Funder
MEXT
8
Software
VASP
8
phonopy
8
spglib
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8