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Ab-initio phonon calculation for ScTaO4 / P2/c (13) / materials id 558781
Description/Abstract:
Ab-initio phonon calculation for ScTaO4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
ScTaO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Description/Abstract:
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na6Ti2O7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) / materials id 40484
Description/Abstract:
Ab-initio phonon calculation for NaNd3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
NaNd3Ti2(SbO7)2
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) / materials id 40478
Description/Abstract:
Ab-initio phonon calculation for NaDy3Ti2(SbO7)2 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
NaDy3Ti2(SbO7)2
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbZn4(BO3)3 / P2/c (13) / materials id 542143
Description/Abstract:
Ab-initio phonon calculation for RbZn4(BO3)3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2/c (13)
,
Phonon
, and
RbZn4(BO3)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) / materials id 771238
Description/Abstract:
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
Y2TeO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) / materials id 867129
Description/Abstract:
Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2/c (13)
,
Phonon
, and
RbZnH2Se2ClO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiAuF4 / P2/c (13) / materials id 554442
Description/Abstract:
Ab-initio phonon calculation for LiAuF4 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LiAuF4
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SnGeO3 / P2/c (13) / materials id 769144
Description/Abstract:
Ab-initio phonon calculation for SnGeO3 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
SnGeO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li4Zr3O8 / P2/c (13) / materials id 765573
Description/Abstract:
Ab-initio phonon calculation for Li4Zr3O8 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Li4Zr3O8
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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MDR phonon calculation database
83
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P2/c (13)
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83
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Atsushi Togo
83
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MEXT
83
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83
phonopy
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spglib
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