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ZrCl4
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Ab-initio phonon calculation for ZrCl4 / P2/c (13) / materials id 569175
Description/Abstract:
Ab-initio phonon calculation for ZrCl4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
P2/c (13)
,
Phonon
, and
ZrCl4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
XAFS spectrum of Zirconium chloride Anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Zr K-edge of Zirconium chloride, anhydrous measured at SPring-...
Keyword:
BL14B2
,
Chloride
,
SPring-8
,
Si(311)
,
XAFS
,
Zirconium chloride, anhydrous
,
Zr K-edge
,
ZrCl4
, and
collection - MDR XAFS DB
Material/Specimen:
Zirconium chloride Anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
24/07/2021
XAFS spectrum of Zirconium chloride Anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Zr K-edge of Zirconium chloride, anhydrous measured at SPring-...
Keyword:
BL14B2
,
Chloride
,
SPring-8
,
Si(111)
,
XAFS
,
Zirconium chloride, anhydrous
,
Zr K-edge
,
ZrCl4
, and
collection - MDR XAFS DB
Material/Specimen:
Zirconium chloride Anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
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Dataset
3
Collection
MDR XAFS DB
2
MDR phonon calculation database
1
Keyword
ZrCl4
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3
BL14B2
2
Chloride
2
SPring-8
2
XAFS
2
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Publisher
NIMS
1
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Dataset
3
Visibility
open
3
Rights Statement Sim
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
2
Creative Commons BY Attribution 4.0 International
1
Data origin
experiments
2
simulation
1
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
2
Material/Specimen
Zirconium chloride Anhydrous
2
Author
Atsushi Togo
1
Contact person
Industrial Application and Partnership Division
2
Instrument manufacturer
Japan Synchrotron Radiation Research Institute
2
Instrument managing organization
Japan Synchrotron Radiation Research Institute
2
Funder
MEXT
1
Software
VASP
1
phonopy
1
spglib
1