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Ab-initio phonon calculation for Na3AlF6 / P2_1/c (14) / materials id 3416
Description/Abstract:
Ab-initio phonon calculation for Na3AlF6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na3AlF6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3AlF6 / R-3 (148) / materials id 676512
Description/Abstract:
Ab-initio phonon calculation for Na3AlF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na3AlF6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
XAFS spectrum of Sodium hexafluoro aluminum
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Na K-edge of Sodium hexafluoro aluminum measured at Ritsumeika...
Keyword:
BL-10
,
Hexafluoride
,
Na K-edge
,
Na3AlF6
,
Ritsumeikan-SR
,
Sodium hexafluoro aluminum
,
XAFS
, and
collection - MDR XAFS DB
Resource Type:
Dataset
Data origin:
experiments
Date Uploaded:
08/06/2022
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Dataset
3
Collection
MDR phonon calculation database
2
MDR XAFS DB
1
Keyword
Na3AlF6
[remove]
3
Phonon
2
BL-10
1
Hexafluoride
1
Na K-edge
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Publisher
NIMS
2
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Dataset
3
Visibility
open
3
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
2
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
1
Data origin
simulation
2
experiments
1
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
1
Author
Atsushi Togo
2
Instrument manufacturer
Ritsumeikan SR Center
1
Instrument managing organization
Ritsumeikan University
1
Instrument managing sub organization
Ritsumeikan SR Center
1
Structural feature category
https://matvoc.nims.go.jp/entity/Q686
1
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2