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Ab-initio phonon calculation for K2PAu / Cmcm (63) / materials id 9687
Description/Abstract:
Ab-initio phonon calculation for K2PAu / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cmcm (63)
,
K2PAu
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
1
Collection
MDR phonon calculation database
1
Keyword
Cmcm (63)
1
K2PAu
[remove]
1
Phonon
1
Publisher
NIMS
1
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Dataset
1
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open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulation
1
Author
Atsushi Togo
1
Funder
MEXT
1
Software
VASP
1
phonopy
1
spglib
1