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Ab-initio phonon calculation for AlH3 / Pnnm (58) / materials id 570130
Description/Abstract:
Ab-initio phonon calculation for AlH3 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
AlH3
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933
Description/Abstract:
Ab-initio phonon calculation for AlH3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlH3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
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2
Collection
MDR phonon calculation database
2
Keyword
AlH3
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2
Phonon
2
Pnnm (58)
1
R-3c (167)
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NIMS
2
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Dataset
2
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open
2
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
2
Data origin
simulation
2
Author
Atsushi Togo
2
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2