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P4_2/nmc (137)
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Ba4OF6
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Ab-initio phonon calculation for Ba4OF6 / P4_2/nmc (137) / materials id 754354
Description/Abstract:
Ab-initio phonon calculation for Ba4OF6 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba4OF6
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
1
Collection
MDR phonon calculation database
1
Keyword
Ba4OF6
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1
P4_2/nmc (137)
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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