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HfZrO4
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Ab-initio phonon calculation for HfZrO4 / I4_1/a (88) / materials id 754964
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfZrO4
,
I4_1/a (88)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) / materials id 754478
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
HfZrO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) / materials id 754134
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfZrO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Type of work
Dataset
3
Collection
MDR phonon calculation database
3
Keyword
HfZrO4
[remove]
3
Phonon
3
Cmmm (65)
1
I4_1/a (88)
1
P2_1/c (14)
1
Publisher
NIMS
3
Resource type
Dataset
3
Visibility
open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Data origin
simulation
3
Author
Atsushi Togo
3
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3