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Ab-initio phonon calculation for FeS2 / Pa-3 (205) / materials id 226
Description/Abstract:
Ab-initio phonon calculation for FeS2 / Pa-3 (205) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
FeS2
,
Pa-3 (205)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for FeS2 / Pnnm (58) / materials id 1522
Description/Abstract:
Ab-initio phonon calculation for FeS2 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
FeS2
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
XAFS spectrum of Iron disulfide
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Fe K-edge of Iron disulfide measured at SPring-8 BL14B2, and i...
Keyword:
BL14B2
,
Fe K-edge
,
FeS2
,
Iron disulfide
,
SPring-8
,
Si(111)
,
Sulfide
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Iron disulfide
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 phonon calculation database
2
MDR XAFS DB
1
Keyword
FeS2
[remove]
3
Phonon
2
BL14B2
1
Fe K-edge
1
Iron disulfide
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Publisher
NIMS
2
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Dataset
3
Visibility
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
Material/Specimen
Iron disulfide
1
Author
Atsushi Togo
2
Contact person
Industrial Application and Partnership Division
1
Instrument manufacturer
Japan Synchrotron Radiation Research Institute
1
Instrument managing organization
Japan Synchrotron Radiation Research Institute
1
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2