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Ab-initio phonon calculation for BaCaAlF7 / P2/c (13) / materials id 18065
Description/Abstract:
Ab-initio phonon calculation for BaCaAlF7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaCaAlF7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Type of work
Dataset
1
Collection
MDR phonon calculation database
1
Keyword
BaCaAlF7
[remove]
1
P2/c (13)
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
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MEXT
1
Software
VASP
1
phonopy
1
spglib
1