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Ab-initio phonon calculation for Lu2S3 / R-3c (167) / materials id 2826
Description/Abstract:
Ab-initio phonon calculation for Lu2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Lu2S3
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for DyBi2BrO4 / P4/mmm (123) / materials id 552992
Description/Abstract:
Ab-initio phonon calculation for DyBi2BrO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
DyBi2BrO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiCuS / Pbcn (60) / materials id 766467
Description/Abstract:
Ab-initio phonon calculation for LiCuS / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LiCuS
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaUTiO6 / P2_1/c (14) / materials id 560110
Description/Abstract:
Ab-initio phonon calculation for BaUTiO6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaUTiO6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaBrO3 / P2_13 (198) / materials id 23339
Description/Abstract:
Ab-initio phonon calculation for NaBrO3 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaBrO3
,
P2_13 (198)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2Al2As3 / P2_1/c (14) / materials id 17473
Description/Abstract:
Ab-initio phonon calculation for Na2Al2As3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2Al2As3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mo6PbI14 / Pn-3 (201) / materials id 569225
Description/Abstract:
Ab-initio phonon calculation for Mo6PbI14 / Pn-3 (201) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mo6PbI14
,
Phonon
, and
Pn-3 (201)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SnF2 / P2_12_12_1 (19) / materials id 7456
Description/Abstract:
Ab-initio phonon calculation for SnF2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
SnF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4LiTa3O12 / P6_3mc (186) / materials id 16792
Description/Abstract:
Ab-initio phonon calculation for Ba4LiTa3O12 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba4LiTa3O12
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2Pt3S4 / Fmmm (69) / materials id 4030
Description/Abstract:
Ab-initio phonon calculation for Rb2Pt3S4 / Fmmm (69) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fmmm (69)
,
Phonon
, and
Rb2Pt3S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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MDR phonon calculation database
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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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Akira Suzuki
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