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Atsushi Togo
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Ab-initio phonon calculation for NaLi2Sb / Fm-3m (225) / materials id 5077
Description/Abstract:
Ab-initio phonon calculation for NaLi2Sb / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
NaLi2Sb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BAsPbO5 / P3_1 (144) / materials id 22430
Description/Abstract:
Ab-initio phonon calculation for BAsPbO5 / P3_1 (144) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BAsPbO5
,
P3_1 (144)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb3Ge4Au / Pmmn (59) / materials id 17830
Description/Abstract:
Ab-initio phonon calculation for Rb3Ge4Au / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pmmn (59)
, and
Rb3Ge4Au
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiCaSb / Pnma (62) / materials id 16264
Description/Abstract:
Ab-initio phonon calculation for LiCaSb / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiCaSb
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PF5 / P6_3/mmc (194) / materials id 8511
Description/Abstract:
Ab-initio phonon calculation for PF5 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P6_3/mmc (194)
,
PF5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pr20AlSi19N33Cl2O19 / Pm (6) / materials id 721011
Description/Abstract:
Ab-initio phonon calculation for Pr20AlSi19N33Cl2O19 / Pm (6) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Phonon
,
Pm (6)
, and
Pr20AlSi19N33Cl2O19
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for DyTlSe2 / R-3m (166) / materials id 568062
Description/Abstract:
Ab-initio phonon calculation for DyTlSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
DyTlSe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li10Si(PSe6)2 / P4_2mc (105) / materials id 706277
Description/Abstract:
Ab-initio phonon calculation for Li10Si(PSe6)2 / P4_2mc (105) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Li10Si(PSe6)2
,
P4_2mc (105)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaAl2(SiO4)2 / C2/c (15) / materials id 17979
Description/Abstract:
Ab-initio phonon calculation for BaAl2(SiO4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaAl2(SiO4)2
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2Cd3Te4 / C2/c (15) / materials id 29901
Description/Abstract:
Ab-initio phonon calculation for Rb2Cd3Te4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Phonon
, and
Rb2Cd3Te4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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10,137
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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
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P2_1/c (14)
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Creative Commons BY Attribution 4.0 International
10,137
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Atsushi Togo
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phonopy
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spglib
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phono3py
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