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P4/mmm (123)
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Ab-initio phonon calculation for K2PdCl4 / P4/mmm (123) / materials id 22956
Description/Abstract:
Ab-initio phonon calculation for K2PdCl4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2PdCl4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NdBi2ClO4 / P4/mmm (123) / materials id 545529
Description/Abstract:
Ab-initio phonon calculation for NdBi2ClO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NdBi2ClO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PrBi2BrO4 / P4/mmm (123) / materials id 551900
Description/Abstract:
Ab-initio phonon calculation for PrBi2BrO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/mmm (123)
,
Phonon
, and
PrBi2BrO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for DyBi2BrO4 / P4/mmm (123) / materials id 552992
Description/Abstract:
Ab-initio phonon calculation for DyBi2BrO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
DyBi2BrO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NdBi2IO4 / P4/mmm (123) / materials id 549333
Description/Abstract:
Ab-initio phonon calculation for NdBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NdBi2IO4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbSr2Nb3O10 / P4/mmm (123) / materials id 22720
Description/Abstract:
Ab-initio phonon calculation for RbSr2Nb3O10 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P4/mmm (123)
,
Phonon
, and
RbSr2Nb3O10
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KBa4Ti5O14F / P4/mmm (123) / materials id 40677
Description/Abstract:
Ab-initio phonon calculation for KBa4Ti5O14F / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
KBa4Ti5O14F
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SmBi2IO4 / P4/mmm (123) / materials id 552292
Description/Abstract:
Ab-initio phonon calculation for SmBi2IO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4/mmm (123)
,
Phonon
, and
SmBi2IO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for AlTlF4 / P4/mmm (123) / materials id 5606
Description/Abstract:
Ab-initio phonon calculation for AlTlF4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlTlF4
,
P4/mmm (123)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TbBi2ClO4 / P4/mmm (123) / materials id 547125
Description/Abstract:
Ab-initio phonon calculation for TbBi2ClO4 / P4/mmm (123) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/mmm (123)
,
Phonon
, and
TbBi2ClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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61
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MDR phonon calculation database
61
Keyword
P4/mmm (123)
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61
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61
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NIMS
61
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Creative Commons BY Attribution 4.0 International
61
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simulation
61
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Atsushi Togo
61
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MEXT
61
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VASP
61
phonopy
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spglib
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