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Ab-initio phonon calculation for Pb9(Br5O2)2 / P4/n (85) / materials id 28041
Description/Abstract:
Ab-initio phonon calculation for Pb9(Br5O2)2 / P4/n (85) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4/n (85)
,
Pb9(Br5O2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs3Cu2I5 / Pnma (62) / materials id 23481
Description/Abstract:
Ab-initio phonon calculation for Cs3Cu2I5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs3Cu2I5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrZn2(PO4)2 / P2_1/c (14) / materials id 8810
Description/Abstract:
Ab-initio phonon calculation for SrZn2(PO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrZn2(PO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Lu2Te4O11 / C2/c (15) / materials id 542676
Description/Abstract:
Ab-initio phonon calculation for Lu2Te4O11 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Lu2Te4O11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YAgTe2 / P-42_1m (113) / materials id 12903
Description/Abstract:
Ab-initio phonon calculation for YAgTe2 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-42_1m (113)
,
Phonon
, and
YAgTe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sm3SiCuSe7 / P6_3 (173) / materials id 570045
Description/Abstract:
Ab-initio phonon calculation for Sm3SiCuSe7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3 (173)
,
Phonon
, and
Sm3SiCuSe7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TiPN3 / C2/c (15) / materials id 989624
Description/Abstract:
Ab-initio phonon calculation for TiPN3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/c (15)
,
Phonon
, and
TiPN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaBSbS4 / Pnma (62) / materials id 866301
Description/Abstract:
Ab-initio phonon calculation for BaBSbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaBSbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) / materials id 23004
Description/Abstract:
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsMgCl3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiInSiO4 / Pnma (62) / materials id 7205
Description/Abstract:
Ab-initio phonon calculation for LiInSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiInSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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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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NIMS
10,137
IOP Publishing
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The Physical Society of Japan
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10,137
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10,140
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Creative Commons BY Attribution 4.0 International
10,140
Data origin
simulation
10,034
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Author
Atsushi Togo
[remove]
10,140
Isao Tanaka
2
Terumasa Tadano
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Hiroyuki Hayashi
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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