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Ab-initio phonon calculation for K2S / Fm-3m (225) / materials id 1022
Description/Abstract:
Ab-initio phonon calculation for K2S / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
K2S
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2LiAlH6 / Fm-3m (225) / materials id 24411
Description/Abstract:
Ab-initio phonon calculation for K2LiAlH6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2LiAlH6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TlI / Fm-3m (225) / materials id 571102
Description/Abstract:
Ab-initio phonon calculation for TlI / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaF2 / Fm-3m (225) / materials id 2741
Description/Abstract:
Ab-initio phonon calculation for CaF2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CaF2
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2IBrCl6 / Fm-3m (225) / materials id 992141
Description/Abstract:
Ab-initio phonon calculation for Cs2IBrCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs2IBrCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2GeCl6 / Fm-3m (225) / materials id 27882
Description/Abstract:
Ab-initio phonon calculation for Cs2GeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2GeCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2PtI6 / Fm-3m (225) / materials id 28110
Description/Abstract:
Ab-initio phonon calculation for Rb2PtI6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2PtI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsRb2GaF6 / Fm-3m (225) / materials id 989629
Description/Abstract:
Ab-initio phonon calculation for CsRb2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsRb2GaF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaInH8(NF3)2 / Fm-3m (225) / materials id 643394
Description/Abstract:
Ab-initio phonon calculation for NaInH8(NF3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
NaInH8(NF3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2NaTlF6 / Fm-3m (225) / materials id 13798
Description/Abstract:
Ab-initio phonon calculation for K2NaTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
K2NaTlF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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332
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MDR phonon calculation database
332
Keyword
Fm-3m (225)
[remove]
332
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NIMS
332
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Creative Commons BY Attribution 4.0 International
332
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332
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Atsushi Togo
332
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MEXT
332
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VASP
332
phonopy
332
spglib
332