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Ab-initio phonon calculation for YbTb2S4 / I-42d (122) / materials id 673682
Description/Abstract:
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-42d (122)
,
Phonon
, and
YbTb2S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604
Description/Abstract:
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2Mg3H10
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Description/Abstract:
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd2PCl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) / materials id 28109
Description/Abstract:
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbAsO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Description/Abstract:
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaLiSiB3HO8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Description/Abstract:
Ab-initio phonon calculation for SrCaSi / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2SrI6
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Description/Abstract:
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KLa5(CCl5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700
Description/Abstract:
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
LiYF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Description/Abstract:
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na6Ti2O7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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