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Ab-initio phonon calculation for BaYCl5 / C2/c (15) / materials id 756564
Description/Abstract:
Ab-initio phonon calculation for BaYCl5 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaYCl5
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Dataset
1
Collection
MDR phonon calculation database
1
Keyword
BaYCl5
[remove]
1
C2/c (15)
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