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Sr2CaI6
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Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) / materials id 754710
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-31m (162)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) / materials id 756131
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4_2/mnm (136)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2CaI6 / P321 (150) / materials id 756238
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P321 (150)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr2CaI6 / Pbcn (60) / materials id 756798
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pbcn (60)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr2CaI6 / Pbcn (60) / materials id 771645
Description/Abstract:
Ab-initio phonon calculation for Sr2CaI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pbcn (60)
,
Phonon
, and
Sr2CaI6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
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Phonon
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Sr2CaI6
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P-31m (162)
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Creative Commons BY Attribution 4.0 International
5
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5
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Atsushi Togo
5
Funder
MEXT
5
Software
VASP
5
phonopy
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spglib
5