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Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) / materials id 7198
Description/Abstract:
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrPSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) / materials id 561179
Description/Abstract:
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2CuIO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) / materials id 567928
Description/Abstract:
Ab-initio phonon calculation for CsBi3Se5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsBi3Se5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KAuO2 / Pmmm (47) / materials id 27418
Description/Abstract:
Ab-initio phonon calculation for KAuO2 / Pmmm (47) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
KAuO2
,
Phonon
, and
Pmmm (47)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KY2CuS4 / Cmcm (63) / materials id 11602
Description/Abstract:
Ab-initio phonon calculation for KY2CuS4 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
KY2CuS4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba3Lu2Zn5O11 / F-43m (216) / materials id 554066
Description/Abstract:
Ab-initio phonon calculation for Ba3Lu2Zn5O11 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Lu2Zn5O11
,
F-43m (216)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Dy(HO)3 / P6_3/m (176) / materials id 24074
Description/Abstract:
Ab-initio phonon calculation for Dy(HO)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy(HO)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) / materials id 22961
Description/Abstract:
Ab-initio phonon calculation for Li2ZnCl4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Li2ZnCl4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Yb11GaSb9 / Iba2 (45) / materials id 569811
Description/Abstract:
Ab-initio phonon calculation for Yb11GaSb9 / Iba2 (45) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Iba2 (45)
,
Phonon
, and
Yb11GaSb9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for XeF3 / P2_1/c (14) / materials id 561153
Description/Abstract:
Ab-initio phonon calculation for XeF3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
XeF3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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