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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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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
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368
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NIMS
10,137
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10,137
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open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103