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Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107
Description/Abstract:
Ab-initio phonon calculation for Ga3PO7 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ga3PO7
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661
Description/Abstract:
Ab-initio phonon calculation for AlN / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AlN
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) / materials id 6065
Description/Abstract:
Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Sr2GaSbO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285
Description/Abstract:
Ab-initio phonon calculation for SrSO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
Pnma (62)
, and
SrSO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Y2Be2GeO7 / P-42_1m (113) / materials id 541040
Description/Abstract:
Ab-initio phonon calculation for Y2Be2GeO7 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P-42_1m (113)
,
Phonon
, and
Y2Be2GeO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KTlO / C2/m (12) / materials id 27716
Description/Abstract:
Ab-initio phonon calculation for KTlO / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
KTlO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HPbBrO / Pnma (62) / materials id 643727
Description/Abstract:
Ab-initio phonon calculation for HPbBrO / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HPbBrO
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) / materials id 984055
Description/Abstract:
Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca7(H6Cl)2
,
P-6 (174)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) / materials id 557301
Description/Abstract:
Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K2Ti(Si2O5)3
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) / materials id 541732
Description/Abstract:
Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Al3Pb5F19
,
I4cm (108)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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MDR phonon calculation database
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Koichi Sakamoto
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Masashi Ishii
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