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10031.
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) / materials id 541097
Description/Abstract:
Ab-initio phonon calculation for Zr3Pb(O2F3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
Phonon
, and
Zr3Pb(O2F3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10032.
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10033.
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) / materials id 555077
Description/Abstract:
Ab-initio phonon calculation for Sn2IF3 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmcm (63)
,
Phonon
, and
Sn2IF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10034.
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) / materials id 4511
Description/Abstract:
Ab-initio phonon calculation for La2SO2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
La2SO2
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10035.
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) / materials id 582080
Description/Abstract:
Ab-initio phonon calculation for Cs3LaCl6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Cs3LaCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10036.
Ab-initio phonon calculation for HgPSe3 / C2/c (15) / materials id 7293
Description/Abstract:
Ab-initio phonon calculation for HgPSe3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
HgPSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10037.
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) / materials id 754710
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-31m (162)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10038.
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) / materials id 540634
Description/Abstract:
Ab-initio phonon calculation for TaTl(GeO3)3 / P-6c2 (188) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P-6c2 (188)
,
Phonon
, and
TaTl(GeO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10039.
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451
Description/Abstract:
Ab-initio phonon calculation for Cs3Cr2Br9 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs3Cr2Br9
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
10040.
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) / materials id 2739
Description/Abstract:
Ab-initio phonon calculation for TeO2 / P4_32_12 (96) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_32_12 (96)
,
Phonon
, and
TeO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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10,034
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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