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Dataset of La(Fe,Si)13-based magnetocaloric alloys
Description/Abstract:
The dataset of La(Fe,Si)13-based alloys was collected from the papers available in Scopus (226 articles; DOI are listed). The following i...
Keyword:
Entropy change
,
La(Fe,Si)13
,
Magnetocaloric effect
,
Thermal hysteresis
, and
Transition temperature
Resource Type:
Dataset
Data origin:
experiments
Author:
Anton Bolyachkin
and
Srinithi Ashok Krishnaswamy
Date Uploaded:
02/12/2024
PoLyInfo Conceptual Schema Version 1.0
Description/Abstract:
'PoLyInfo Conceptual Schema' is a machine-readable schema necessary to express polymer knowledge using the concept classes, predicates, a...
Keyword:
Conceptual schema
,
PoLyInfo
,
Polymer chemistry knowledge
,
ShEx
, and
collection - PoLyInfo Knowledge
Resource Type:
Dataset
Data origin:
others
Author:
Masashi Ishii
and
Koichi Sakamoto
Date Uploaded:
27/03/2024
PoLyInfo Ontology Version 1.0
Description/Abstract:
This 'PoLyInfo Ontology' summarizes the concept classes, predicates, instances, etc. necessary for machine-readable representation of the...
Keyword:
BFO
,
Ontology
,
PoLyInfo
,
Polymer chemistry knowledge
, and
collection - PoLyInfo Knowledge
Resource Type:
Dataset
Data origin:
others
Author:
Masashi Ishii
and
Koichi Sakamoto
Date Uploaded:
25/03/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CuBr in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-CuBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaS
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-CaS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnS
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-ZnS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlN in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-AlN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuCl in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CuCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AgI
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-AgI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiBr in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-LiBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Keyword
Phonon
10,137
P2_1/c (14)
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10,145
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,145
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simulations
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spectroscopy -- x-ray photoelectron spectroscopy
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Atsushi Togo
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Koichi Sakamoto
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Masashi Ishii
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SUMIYA, Masatomo
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Akira Suzuki
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Rikenkeiki
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MEXT
10,034
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VASP
10,137
phonopy
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spglib
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phono3py
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