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Ab-initio phonon calculation for As2O3 / Fd-3m (227) / materials id 2184
Description/Abstract:
Ab-initio phonon calculation for As2O3 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2O3
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for As2O3 / P2_1/c (14) / materials id 1582
Description/Abstract:
Ab-initio phonon calculation for As2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2O3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for As2O3 / P2_1/c (14) / materials id 1581
Description/Abstract:
Ab-initio phonon calculation for As2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
As2O3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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3
Collection
MDR phonon calculation database
3
Keyword
As2O3
[remove]
3
Phonon
3
P2_1/c (14)
2
Fd-3m (227)
1
Publisher
NIMS
3
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Dataset
3
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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