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BaSr2I6
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Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) / materials id 754224
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P4_2/mnm (136) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaSr2I6
,
P4_2/mnm (136)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSr2I6 / P2_1/c (14) / materials id 772862
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSr2I6
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaSr2I6 / C2/c (15) / materials id 754667
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaSr2I6
,
C2/c (15)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for BaSr2I6 / P-31m (162) / materials id 754212
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSr2I6
,
P-31m (162)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for BaSr2I6 / P321 (150) / materials id 752439
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P321 (150) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaSr2I6
,
P321 (150)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for BaSr2I6 / P-4b2 (117) / materials id 772861
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / P-4b2 (117) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BaSr2I6
,
P-4b2 (117)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaSr2I6 / Pbcn (60) / materials id 772876
Description/Abstract:
Ab-initio phonon calculation for BaSr2I6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaSr2I6
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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7
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MDR phonon calculation database
7
Keyword
BaSr2I6
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Phonon
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Atsushi Togo
7
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MEXT
7
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VASP
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phonopy
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spglib
7