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Atsushi Togo
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1001.
Ab-initio phonon calculation for Rb2SnO3 / Cmc2_1 (36) / materials id 753798
Description/Abstract:
Ab-initio phonon calculation for Rb2SnO3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Rb2SnO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1002.
Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) / materials id 31416
Description/Abstract:
Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C222_1 (20)
,
Ho3TaO7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1003.
Ab-initio phonon calculation for LiB(HO2)2 / P2_1/c (14) / materials id 698205
Description/Abstract:
Ab-initio phonon calculation for LiB(HO2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
LiB(HO2)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1004.
Ab-initio phonon calculation for HoHSe / P-6m2 (187) / materials id 24012
Description/Abstract:
Ab-initio phonon calculation for HoHSe / P-6m2 (187) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
HoHSe
,
P-6m2 (187)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1005.
Ab-initio phonon calculation for La3Al5O12 / Ia-3d (230) / materials id 780432
Description/Abstract:
Ab-initio phonon calculation for La3Al5O12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ia-3d (230)
,
La3Al5O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1006.
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 768510
Description/Abstract:
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba4Sn3O10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1007.
Ab-initio phonon calculation for GaTe / C2/m (12) / materials id 542812
Description/Abstract:
Ab-initio phonon calculation for GaTe / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
GaTe
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1008.
Ab-initio phonon calculation for Ba2ZrS4 / I4/mmm (139) / materials id 3813
Description/Abstract:
Ab-initio phonon calculation for Ba2ZrS4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2ZrS4
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1009.
Ab-initio phonon calculation for K2S / Fm-3m (225) / materials id 1022
Description/Abstract:
Ab-initio phonon calculation for K2S / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
K2S
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1010.
Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) / materials id 18578
Description/Abstract:
Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1 (4)
,
Phonon
, and
TlZnAsO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Type of work
Dataset
10,137
Publication
3
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)
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English
3
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NIMS
10,137
IOP Publishing
1
Institute of Physics Publishing
1
The Physical Society of Japan
1
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Dataset
10,137
Article
3
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10,140
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,140
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
[remove]
10,140
Isao Tanaka
2
Terumasa Tadano
2
Hiroyuki Hayashi
1
Laurent Chaput
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MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1