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Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556784
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 647075
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 581425
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / R3m (160) / materials id 555763
Description/Abstract:
Ab-initio phonon calculation for ZnS / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Phonon
,
R3m (160)
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P6_3mc (186) / materials id 561196
Description/Abstract:
Ab-initio phonon calculation for ZnS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P6_3mc (186)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P6_3mc (186) / materials id 560725
Description/Abstract:
Ab-initio phonon calculation for ZnS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P6_3mc (186)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / F-43m (216) / materials id 10695
Description/Abstract:
Ab-initio phonon calculation for ZnS / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
F-43m (216)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 555311
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556989
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556000
Description/Abstract:
Ab-initio phonon calculation for ZnS / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
P3m1 (156)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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69
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MDR phonon calculation database
66
MDR XAFS DB
3
Keyword
ZnS
[remove]
69
Phonon
66
P3m1 (156)
45
R3m (160)
13
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NIMS
66
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69
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Creative Commons BY Attribution 4.0 International
66
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
3
Data origin
simulation
66
experiments
3
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
3
Material/Specimen
Zinc sulfide
2
Author
Atsushi Togo
66
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Industrial Application and Partnership Division
2
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Japan Synchrotron Radiation Research Institute
2
Ritsumeikan SR Center
1
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Japan Synchrotron Radiation Research Institute
2
Ritsumeikan University
1
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Ritsumeikan SR Center
1
Structural feature category
https://matvoc.nims.go.jp/entity/Q686
1
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MEXT
66
Software
VASP
66
phonopy
66
spglib
66