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10091.
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) / materials id 15500
Description/Abstract:
Ab-initio phonon calculation for Sr4TiP4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-43n (218)
,
Phonon
, and
Sr4TiP4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10092.
Ab-initio phonon calculation for K2CuSb / Cmcm (63) / materials id 10381
Description/Abstract:
Ab-initio phonon calculation for K2CuSb / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
K2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10093.
Ab-initio phonon calculation for NdSeF / P4/nmm (129) / materials id 12620
Description/Abstract:
Ab-initio phonon calculation for NdSeF / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NdSeF
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10094.
Ab-initio phonon calculation for MgSn(BO3)2 / R-3 (148) / materials id 11715
Description/Abstract:
Ab-initio phonon calculation for MgSn(BO3)2 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
MgSn(BO3)2
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10095.
Ab-initio phonon calculation for Mg(ReO4)2 / P31m (157) / materials id 768770
Description/Abstract:
Ab-initio phonon calculation for Mg(ReO4)2 / P31m (157) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Mg(ReO4)2
,
P31m (157)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10096.
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) / materials id 560189
Description/Abstract:
Ab-initio phonon calculation for NaLi2BO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaLi2BO3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10097.
Ab-initio phonon calculation for K2CuSbS3 / P2_1/c (14) / materials id 554343
Description/Abstract:
Ab-initio phonon calculation for K2CuSbS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2CuSbS3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10098.
Ab-initio phonon calculation for TbOF / R-3m (166) / materials id 14093
Description/Abstract:
Ab-initio phonon calculation for TbOF / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
TbOF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10099.
Ab-initio phonon calculation for Na3BiBAsO7 / P2_1/m (11) / materials id 770475
Description/Abstract:
Ab-initio phonon calculation for Na3BiBAsO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3BiBAsO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10100.
Ab-initio phonon calculation for Ta9PO25 / I-4 (82) / materials id 770481
Description/Abstract:
Ab-initio phonon calculation for Ta9PO25 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
I-4 (82)
,
Phonon
, and
Ta9PO25
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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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)
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C2/c (15)
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10,137
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10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
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Atsushi Togo
10,137
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MEXT
10,034
Software
VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
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