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P6_3mc (186)
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Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661
Description/Abstract:
Ab-initio phonon calculation for AlN / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AlN
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346
Description/Abstract:
Ab-initio phonon calculation for CuI / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CuI
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) / materials id 626161
Description/Abstract:
Ab-initio phonon calculation for Al5HO8 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Al5HO8
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) / materials id 13002
Description/Abstract:
Ab-initio phonon calculation for K2SiF6 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2SiF6
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CdS / P6_3mc (186) / materials id 672
Description/Abstract:
Ab-initio phonon calculation for CdS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdS
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiC / P6_3mc (186) / materials id 11714
Description/Abstract:
Ab-initio phonon calculation for SiC / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P6_3mc (186)
,
Phonon
, and
SiC
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZnS / P6_3mc (186) / materials id 561196
Description/Abstract:
Ab-initio phonon calculation for ZnS / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P6_3mc (186)
,
Phonon
, and
ZnS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg3AsSe4Br / P6_3mc (186) / materials id 567949
Description/Abstract:
Ab-initio phonon calculation for Hg3AsSe4Br / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Hg3AsSe4Br
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K6HgS4 / P6_3mc (186) / materials id 5114
Description/Abstract:
Ab-initio phonon calculation for K6HgS4 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K6HgS4
,
P6_3mc (186)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PbI2 / P6_3mc (186) / materials id 567542
Description/Abstract:
Ab-initio phonon calculation for PbI2 / P6_3mc (186) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P6_3mc (186)
,
PbI2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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115
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MDR phonon calculation database
115
Keyword
P6_3mc (186)
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115
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115
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7
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5
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115
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Creative Commons BY Attribution 4.0 International
115
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115
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Atsushi Togo
115
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115
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VASP
115
phonopy
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spglib
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