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Phono3py input data to calculate lattice thermal conductvities for zincblende-CdSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CdSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CdSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InAs in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-InAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlSb
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlSb in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-AlSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-NaI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuBr in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CuBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuH in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-CuH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-AgCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-AgCl in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-AgCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KH in Fig.17 of the paper https://doi.org/10.7566/JP...
Keyword:
Phonon
and
rocksalt-KH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KBr in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-KBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-BP in Fig.17 of the paper https://doi.org/10.7566/JP...
Keyword:
Phonon
and
wurtzite-BP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
CPDDB
2
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Phonon
103
CALPHAD
2
Computational thermodynamics
2
First-principles calculation
2
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English
5
Japanese
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103
National Institute for Materials Science
3
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3
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112
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112
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
107
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3
Creative Commons BY-NC Attribution-NonCommercial 4.0 International
1
MIT License
1
Computational methods
density functional theory or electronic structure
3
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statistical mechanics
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Data origin
simulations
[remove]
112
Properties addressed
thermodynamic -- phase diagram
2
electrical -- dielectric constant and spectra
1
optical
1
Characterization methods
other
1
Material/Specimen
Formamidinium–lead–chloride–dimethyl sulfoxide
1
organic solvents
1
Material type
Hybrid halide
1
Date created
2020
1
2021
1
Date updated
2021
1
Date
2020
1
Author
Atsushi Togo
103
ABE, Taichi
2
GOTO, Yumi
2
HASHIMOTO, Kiyoshi
2
HIROSE, Kiyomi
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https://creativecommons.org/licenses/by/4.0/
2
http://opensource.org/licenses/MIT
1
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Japan Society for the Promotion of Science (JSPS)
1
RIKEN
1
Software
VASP
103
phono3py
103
phonopy
103
spglib
103
CASTEP
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Journal
Physical Chemistry Chemical Physics
2
CrystEngComm
1
e-Journal of Surface Science and Nanotechnology
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