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Ab-initio phonon calculation for LaNbO4 / C2/c (15) / materials id 542724
Description/Abstract:
Ab-initio phonon calculation for LaNbO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
LaNbO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaNbO4 / I4_1/a (88) / materials id 5295
Description/Abstract:
Ab-initio phonon calculation for LaNbO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4_1/a (88)
,
LaNbO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
XAFS spectrum of Lanthanum niobate
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Nb K-edge of Lanthanum niobate measured at PF, and is a part o...
Keyword:
Hokkaido University, Institute for Catalysis
,
LaNbO4
,
Lanthanum niobate
,
Nb K-edge
,
Oxide_ate
,
Si(311)
,
XAFS
, and
collection - MDR XAFS DB
Resource Type:
Dataset
Data origin:
experiments
Date Uploaded:
08/06/2022
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3
Collection
MDR phonon calculation database
2
MDR XAFS DB
1
Keyword
LaNbO4
[remove]
3
Phonon
2
C2/c (15)
1
Hokkaido University, Institute for Catalysis
1
I4_1/a (88)
1
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NIMS
2
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3
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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
Structural feature category
https://matvoc.nims.go.jp/entity/Q686
1
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2