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Ab-initio phonon calculation for GaP / F-43m (216) / materials id 2490
Description/Abstract:
Ab-initio phonon calculation for GaP / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
F-43m (216)
,
GaP
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiAuF4 / P2/c (13) / materials id 554442
Description/Abstract:
Ab-initio phonon calculation for LiAuF4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiAuF4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiRhO2 / R-3m (166) / materials id 14115
Description/Abstract:
Ab-initio phonon calculation for LiRhO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LiRhO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3Si3O10F / P2_1/c (14) / materials id 14630
Description/Abstract:
Ab-initio phonon calculation for Y3Si3O10F / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Y3Si3O10F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KAl(SiO3)2 / I4_1/a (88) / materials id 554433
Description/Abstract:
Ab-initio phonon calculation for KAl(SiO3)2 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
I4_1/a (88)
,
KAl(SiO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La3AgGeS7 / P6_3 (173) / materials id 617632
Description/Abstract:
Ab-initio phonon calculation for La3AgGeS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La3AgGeS7
,
P6_3 (173)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TiGeO3 / R-3 (148) / materials id 780260
Description/Abstract:
Ab-initio phonon calculation for TiGeO3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3 (148)
, and
TiGeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr(IO3)2 / P2_1/c (14) / materials id 771750
Description/Abstract:
Ab-initio phonon calculation for Sr(IO3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_1/c (14)
,
Phonon
, and
Sr(IO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2HBrO / P2_1/m (11) / materials id 24589
Description/Abstract:
Ab-initio phonon calculation for K2HBrO / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K2HBrO
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li4ZrF8 / Pnma (62) / materials id 9308
Description/Abstract:
Ab-initio phonon calculation for Li4ZrF8 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li4ZrF8
,
Phonon
, and
Pnma (62)
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)
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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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3
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open
10,140
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Creative Commons BY Attribution 4.0 International
10,140
Data origin
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10,034
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Author
Atsushi Togo
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10,140
Isao Tanaka
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Terumasa Tadano
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Hiroyuki Hayashi
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Laurent Chaput
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1