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P2_1/m (11)
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Ab-initio phonon calculation for HfS3 / P2_1/m (11) / materials id 9922
Description/Abstract:
Ab-initio phonon calculation for HfS3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfS3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CdBiClO2 / P2_1/m (11) / materials id 550553
Description/Abstract:
Ab-initio phonon calculation for CdBiClO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CdBiClO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li4H3ClO3 / P2_1/m (11) / materials id 643259
Description/Abstract:
Ab-initio phonon calculation for Li4H3ClO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li4H3ClO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li3TeHO4 / P2_1/m (11) / materials id 696949
Description/Abstract:
Ab-initio phonon calculation for Li3TeHO4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Li3TeHO4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsLi2(HO)3 / P2_1/m (11) / materials id 697181
Description/Abstract:
Ab-initio phonon calculation for CsLi2(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsLi2(HO)3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs3LiI4 / P2_1/m (11) / materials id 569238
Description/Abstract:
Ab-initio phonon calculation for Cs3LiI4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3LiI4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BiPO4 / P2_1/m (11) / materials id 558798
Description/Abstract:
Ab-initio phonon calculation for BiPO4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BiPO4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11) / materials id 28397
Description/Abstract:
Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sr4Bi6Se13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KClO3 / P2_1/m (11) / materials id 23022
Description/Abstract:
Ab-initio phonon calculation for KClO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KClO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ErHO2 / P2_1/m (11) / materials id 504801
Description/Abstract:
Ab-initio phonon calculation for ErHO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
ErHO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Type of work
Dataset
206
Collection
MDR phonon calculation database
206
Keyword
P2_1/m (11)
[remove]
206
Phonon
206
Er2S3
2
Nd(HO)3
2
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NIMS
206
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206
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
206
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simulation
206
Author
Atsushi Togo
206
Funder
MEXT
206
Software
VASP
[remove]
206
phonopy
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spglib
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