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Atsushi Togo
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Ab-initio phonon calculation for TmSeO3F / P2_1/c (14) / materials id 557457
Description/Abstract:
Ab-initio phonon calculation for TmSeO3F / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/c (14)
,
Phonon
, and
TmSeO3F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca2GeS4 / Pnma (62) / materials id 540773
Description/Abstract:
Ab-initio phonon calculation for Ca2GeS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2GeS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li6Br3N / Cm (8) / materials id 676650
Description/Abstract:
Ab-initio phonon calculation for Li6Br3N / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
Li6Br3N
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca3Mg(SiO4)2 / P2_1/c (14) / materials id 558209
Description/Abstract:
Ab-initio phonon calculation for Ca3Mg(SiO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ca3Mg(SiO4)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sc2S3 / C2/m (12) / materials id 684969
Description/Abstract:
Ab-initio phonon calculation for Sc2S3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Phonon
, and
Sc2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li6Y(BO3)3 / P2_1/c (14) / materials id 14704
Description/Abstract:
Ab-initio phonon calculation for Li6Y(BO3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li6Y(BO3)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PbI2 / P3m1 (156) / materials id 580202
Description/Abstract:
Ab-initio phonon calculation for PbI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
P3m1 (156)
,
PbI2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KHO / Cmc2_1 (36) / materials id 626785
Description/Abstract:
Ab-initio phonon calculation for KHO / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cmc2_1 (36)
,
KHO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TaSbRu / F-43m (216) / materials id 31454
Description/Abstract:
Ab-initio phonon calculation for TaSbRu / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
F-43m (216)
,
Phonon
, and
TaSbRu
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pb9(Br5O2)2 / P4/n (85) / materials id 28041
Description/Abstract:
Ab-initio phonon calculation for Pb9(Br5O2)2 / P4/n (85) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4/n (85)
,
Pb9(Br5O2)2
, and
Phonon
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
10,137
P2_1/c (14)
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Pnma (62)
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
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Atsushi Togo
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MEXT
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VASP
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phonopy
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spglib
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phono3py
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