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9961.
Ab-initio phonon calculation for HfPbO3 / Pm-3m (221) / materials id 22535
Description/Abstract:
Ab-initio phonon calculation for HfPbO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
HfPbO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9962.
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571646
Description/Abstract:
Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CdI2
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9963.
Ab-initio phonon calculation for KClO3 / Pnma (62) / materials id 556084
Description/Abstract:
Ab-initio phonon calculation for KClO3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KClO3
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9964.
Ab-initio phonon calculation for HIO3 / P2_12_12_1 (19) / materials id 23963
Description/Abstract:
Ab-initio phonon calculation for HIO3 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
HIO3
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9965.
Ab-initio phonon calculation for AlN / F-43m (216) / materials id 1700
Description/Abstract:
Ab-initio phonon calculation for AlN / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
AlN
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9966.
Ab-initio phonon calculation for KNaTiO3 / C2/c (15) / materials id 560767
Description/Abstract:
Ab-initio phonon calculation for KNaTiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
KNaTiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9967.
Ab-initio phonon calculation for NaTi2Ga5O12 / Pbam (55) / materials id 554441
Description/Abstract:
Ab-initio phonon calculation for NaTi2Ga5O12 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaTi2Ga5O12
,
Pbam (55)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9968.
Ab-initio phonon calculation for SiO2 / P4/mcc (124) / materials id 600006
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P4/mcc (124) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P4/mcc (124)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9969.
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) / materials id 21445
Description/Abstract:
Ab-initio phonon calculation for Ba3In2O5F2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3In2O5F2
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
9970.
Ab-initio phonon calculation for RbEr3F10 / P6_3mc (186) / materials id 555932
Description/Abstract:
Ab-initio phonon calculation for RbEr3F10 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3mc (186)
,
Phonon
, and
RbEr3F10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,144
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Phonon
10,137
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10,144
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Atsushi Togo
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Koichi Sakamoto
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Masashi Ishii
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SUMIYA, Masatomo
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Akira Suzuki
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10,034
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