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CaCl2
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Ab-initio phonon calculation for CaCl2 / Pnnm (58) / materials id 23214
Description/Abstract:
Ab-initio phonon calculation for CaCl2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaCl2
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for CaCl2 / Pbcn (60) / materials id 571642
Description/Abstract:
Ab-initio phonon calculation for CaCl2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaCl2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CaCl2 / P4_2/mnm (136) / materials id 22904
Description/Abstract:
Ab-initio phonon calculation for CaCl2 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CaCl2
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
XAFS spectrum of Calcium chloride
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ca K-edge of Calcium chloride measured at Ritsumeikan-SR BL-10...
Keyword:
BL-10
,
Ca K-edge
,
CaCl2
,
Calcium chloride
,
Chloride
,
Ritsumeikan-SR
,
XAFS
, and
collection - MDR XAFS DB
Resource Type:
Dataset
Data origin:
experiments
Date Uploaded:
08/06/2022
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Dataset
4
Collection
MDR phonon calculation database
3
MDR XAFS DB
1
Keyword
CaCl2
[remove]
4
Phonon
3
BL-10
1
Ca K-edge
1
Calcium chloride
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Publisher
NIMS
3
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Dataset
4
Visibility
open
4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
1
Data origin
simulation
3
experiments
1
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
1
Author
Atsushi Togo
3
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
3
Software
VASP
3
phonopy
3
spglib
3