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ZnCl2
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Ab-initio phonon calculation for ZnCl2 / I-42d (122) / materials id 22909
Description/Abstract:
Ab-initio phonon calculation for ZnCl2 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-42d (122)
,
Phonon
, and
ZnCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ZnCl2 / P2_1/c (14) / materials id 571540
Description/Abstract:
Ab-initio phonon calculation for ZnCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZnCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for ZnCl2 / P4_2/nmc (137) / materials id 567279
Description/Abstract:
Ab-initio phonon calculation for ZnCl2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4_2/nmc (137)
,
Phonon
, and
ZnCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for ZnCl2 / Pna2_1 (33) / materials id 22889
Description/Abstract:
Ab-initio phonon calculation for ZnCl2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pna2_1 (33)
, and
ZnCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
XAFS spectrum of Zinc chloride Anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Zn K-edge of Zinc chloride, anhydrous measured at SPring-8 BL1...
Keyword:
BL14B2
,
Chloride
,
SPring-8
,
Si(111)
,
XAFS
,
Zinc chloride, anhydrous
,
Zn K-edge
,
ZnCl2
, and
collection - MDR XAFS DB
Material/Specimen:
Zinc chloride Anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
24/07/2021
XAFS spectrum of Zinc chloride Anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Zn K-edge of Zinc chloride, anhydrous measured at SPring-8 BL1...
Keyword:
BL14B2
,
Chloride
,
SPring-8
,
Si(311)
,
XAFS
,
Zinc chloride, anhydrous
,
Zn K-edge
,
ZnCl2
, and
collection - MDR XAFS DB
Material/Specimen:
Zinc chloride Anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
21/07/2021
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Dataset
6
Collection
MDR phonon calculation database
4
MDR XAFS DB
2
Keyword
ZnCl2
[remove]
6
Phonon
4
BL14B2
2
Chloride
2
SPring-8
2
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Publisher
NIMS
4
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Dataset
6
Visibility
open
6
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
4
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
2
Data origin
simulation
4
experiments
2
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
2
Material/Specimen
Zinc chloride Anhydrous
2
Author
Atsushi Togo
4
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
4
Software
VASP
4
phonopy
4
spglib
4