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Ab-initio phonon calculation for Rb3NaPbO4 / P2_1/c (14) / materials id 554584
Description/Abstract:
Ab-initio phonon calculation for Rb3NaPbO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3NaPbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) / materials id 556697
Description/Abstract:
Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CaTa2Bi2O9
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li2CuSb / F-43m (216) / materials id 15988
Description/Abstract:
Ab-initio phonon calculation for Li2CuSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
F-43m (216)
,
Li2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) / materials id 28316
Description/Abstract:
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3LiSi4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) / materials id 620372
Description/Abstract:
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Rb2Se5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) / materials id 989561
Description/Abstract:
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
NaTl2GaF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) / materials id 23996
Description/Abstract:
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BeH8SO8
,
I-4c2 (120)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SbIrS / P2_13 (198) / materials id 8630
Description/Abstract:
Ab-initio phonon calculation for SbIrS / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_13 (198)
,
Phonon
, and
SbIrS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) / materials id 14588
Description/Abstract:
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmc2_1 (36)
,
Na2PtSe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Er3SiCuS7 / P6_3 (173) / materials id 558980
Description/Abstract:
Ab-initio phonon calculation for Er3SiCuS7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Er3SiCuS7
,
P6_3 (173)
, and
Phonon
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
1
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10,137
Article
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open
10,140
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,140
Data origin
simulation
10,034
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103
Author
Atsushi Togo
[remove]
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
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1