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Ab-initio phonon calculation for PbI2 / R-3m (166) / materials id 540789
Description/Abstract:
Ab-initio phonon calculation for PbI2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
PbI2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CdCl2 / R-3m (166) / materials id 22881
Description/Abstract:
Ab-initio phonon calculation for CdCl2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CdCl2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K4BeAs2 / R-3m (166) / materials id 29584
Description/Abstract:
Ab-initio phonon calculation for K4BeAs2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4BeAs2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbTmS2 / R-3m (166) / materials id 9368
Description/Abstract:
Ab-initio phonon calculation for RbTmS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
RbTmS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for In4Br7 / R-3m (166) / materials id 568692
Description/Abstract:
Ab-initio phonon calculation for In4Br7 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
In4Br7
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs2NaGaF6 / R-3m (166) / materials id 6163
Description/Abstract:
Ab-initio phonon calculation for Cs2NaGaF6 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2NaGaF6
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TlBS2 / R-3m (166) / materials id 8946
Description/Abstract:
Ab-initio phonon calculation for TlBS2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3m (166)
, and
TlBS2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Lu2CCl2 / R-3m (166) / materials id 573376
Description/Abstract:
Ab-initio phonon calculation for Lu2CCl2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Lu2CCl2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaInSe2 / R-3m (166) / materials id 22473
Description/Abstract:
Ab-initio phonon calculation for NaInSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaInSe2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HfBrN / R-3m (166) / materials id 30302
Description/Abstract:
Ab-initio phonon calculation for HfBrN / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfBrN
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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315
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MDR phonon calculation database
315
Keyword
Phonon
315
R-3m (166)
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315
CdI2
4
PbI2
3
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NIMS
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315
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Creative Commons BY Attribution 4.0 International
315
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315
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Atsushi Togo
315
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MEXT
315
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VASP
315
phonopy
315
spglib
315