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Phono3py input data to calculate lattice thermal conductvities for rocksalt-SrO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-SrO in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-SrO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-AgBr
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-AgBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-PbTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-PbTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-PbTe
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
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 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-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 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 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 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
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Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,137
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Dataset
10,137
Visibility
open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
103