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Ba3AlF9
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Ab-initio phonon calculation for Ba3AlF9 / Pnc2 (30) / materials id 555438
Description/Abstract:
Ab-initio phonon calculation for Ba3AlF9 / Pnc2 (30) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3AlF9
,
Phonon
, and
Pnc2 (30)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) / materials id 556863
Description/Abstract:
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3AlF9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) / materials id 28642
Description/Abstract:
Ab-initio phonon calculation for Ba3AlF9 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba3AlF9
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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Type of work
Dataset
3
Collection
MDR phonon calculation database
3
Keyword
Ba3AlF9
[remove]
3
Phonon
3
Pnma (62)
2
Pnc2 (30)
1
Publisher
NIMS
3
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Dataset
3
Visibility
open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Data origin
simulation
3
Author
Atsushi Togo
3
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3