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BaCl2
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Ab-initio phonon calculation for BaCl2 / Fm-3m (225) / materials id 568662
Description/Abstract:
Ab-initio phonon calculation for BaCl2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaCl2
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaCl2 / Pnma (62) / materials id 23199
Description/Abstract:
Ab-initio phonon calculation for BaCl2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaCl2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BaCl2 / P-62m (189) / materials id 567680
Description/Abstract:
Ab-initio phonon calculation for BaCl2 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaCl2
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
XAFS spectrum of Barium(II) chloride. anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba K-edge of Barium(II) chloride, anhydrous measured at SPring...
Keyword:
BL14B2
,
Ba K-edge
,
BaCl2
,
Barium(II) chloride, anhydrous
,
Chloride
,
SPring-8
,
Si(311)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium(II) chloride. anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
24/07/2021
XAFS spectrum of Barium(II) chloride. anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba L3-edge of Barium(II) chloride, anhydrous measured at SPrin...
Keyword:
BL14B2
,
Ba L3-edge
,
BaCl2
,
Barium(II) chloride, anhydrous
,
Chloride
,
SPring-8
,
Si(111)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium(II) chloride. anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
XAFS spectrum of Barium(II) chloride. anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba L21-edge of Barium(II) chloride, anhydrous measured at SPri...
Keyword:
BL14B2
,
Ba L21-edge
,
BaCl2
,
Barium(II) chloride, anhydrous
,
Chloride
,
SPring-8
,
Si(111)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium(II) chloride. anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
XAFS spectrum of Barium(II) chloride. anhydrous
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba L21-edge of Barium(II) chloride, anhydrous measured at SPri...
Keyword:
BL14B2
,
Ba L21-edge
,
BaCl2
,
Barium(II) chloride, anhydrous
,
Chloride
,
SPring-8
,
Si(111)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium(II) chloride. anhydrous
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
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Type of work
Dataset
7
Collection
MDR XAFS DB
4
MDR phonon calculation database
3
Keyword
BaCl2
[remove]
7
BL14B2
4
Barium(II) chloride, anhydrous
4
Chloride
4
SPring-8
4
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Publisher
NIMS
3
Resource type
Dataset
7
Visibility
open
7
Rights Statement Sim
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
4
Creative Commons BY Attribution 4.0 International
3
Data origin
experiments
4
simulation
3
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
4
Material/Specimen
Barium(II) chloride. anhydrous
4
Author
Atsushi Togo
3
Contact person
Industrial Application and Partnership Division
4
Instrument manufacturer
Japan Synchrotron Radiation Research Institute
4
Instrument managing organization
Japan Synchrotron Radiation Research Institute
4
Funder
MEXT
3
Software
VASP
3
phonopy
3
spglib
3