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Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) / materials id 867570
Description/Abstract:
Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb4Sb2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) / materials id 770936
Description/Abstract:
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Sc2O5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Tb2BaZnO5 / Pnma (62) / materials id 18084
Description/Abstract:
Ab-initio phonon calculation for Tb2BaZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Tb2BaZnO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiMgN / Pnma (62) / materials id 30156
Description/Abstract:
Ab-initio phonon calculation for LiMgN / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LiMgN
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TmCuS2 / Pnma (62) / materials id 12455
Description/Abstract:
Ab-initio phonon calculation for TmCuS2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
TmCuS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Mg2BiPO6 / Pnma (62) / materials id 558660
Description/Abstract:
Ab-initio phonon calculation for Mg2BiPO6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Mg2BiPO6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TlI3 / Pnma (62) / materials id 28329
Description/Abstract:
Ab-initio phonon calculation for TlI3 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
TlI3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) / materials id 6501
Description/Abstract:
Ab-initio phonon calculation for BaHo2ZnO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaHo2ZnO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SbSI / Pnma (62) / materials id 23041
Description/Abstract:
Ab-initio phonon calculation for SbSI / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pnma (62)
, and
SbSI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsReO4 / Pnma (62) / materials id 17621
Description/Abstract:
Ab-initio phonon calculation for CsReO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CsReO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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839
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MDR phonon calculation database
839
Keyword
Phonon
839
Pnma (62)
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839
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Creative Commons BY Attribution 4.0 International
839
Data origin
simulation
[remove]
839
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Atsushi Togo
839
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MEXT
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VASP
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phonopy
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