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I4/mmm (139)
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Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004
Description/Abstract:
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Rb4Br2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) / materials id 551873
Description/Abstract:
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ca4Bi2O
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SiO2 / I4/mmm (139) / materials id 555211
Description/Abstract:
Ab-initio phonon calculation for SiO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) / materials id 567776
Description/Abstract:
Ab-initio phonon calculation for Cs2AgAuCl6 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2AgAuCl6
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) / materials id 5532
Description/Abstract:
Ab-initio phonon calculation for Sr2TiO4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Phonon
, and
Sr2TiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3Hf2O7 / I4/mmm (139) / materials id 779517
Description/Abstract:
Ab-initio phonon calculation for Sr3Hf2O7 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4/mmm (139)
,
Phonon
, and
Sr3Hf2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbAgO / I4/mmm (139) / materials id 8603
Description/Abstract:
Ab-initio phonon calculation for RbAgO / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/mmm (139)
,
Phonon
, and
RbAgO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2MgF4 / I4/mmm (139) / materials id 31212
Description/Abstract:
Ab-initio phonon calculation for K2MgF4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4/mmm (139)
,
K2MgF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2TeO2 / I4/mmm (139) / materials id 755756
Description/Abstract:
Ab-initio phonon calculation for Y2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I4/mmm (139)
,
Phonon
, and
Y2TeO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiCuO / I4/mmm (139) / materials id 5127
Description/Abstract:
Ab-initio phonon calculation for LiCuO / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/mmm (139)
,
LiCuO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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146
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MDR phonon calculation database
146
Keyword
I4/mmm (139)
[remove]
146
Phonon
146
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4
Ba(CuS)2
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NIMS
146
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Rights Statement Sim
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146
Data origin
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146
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Atsushi Togo
146
Funder
MEXT
146
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VASP
146
phonopy
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spglib
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