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Cmmm (65)
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Ab-initio phonon calculation for Ta3O7F / Cmmm (65) / materials id 753747
Description/Abstract:
Ab-initio phonon calculation for Ta3O7F / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
Phonon
, and
Ta3O7F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Nd7Si11N23 / Cmmm (65) / materials id 567918
Description/Abstract:
Ab-initio phonon calculation for Ba2Nd7Si11N23 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba2Nd7Si11N23
,
Cmmm (65)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for UCdO4 / Cmmm (65) / materials id 545598
Description/Abstract:
Ab-initio phonon calculation for UCdO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cmmm (65)
,
Phonon
, and
UCdO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na3BiO4 / Cmmm (65) / materials id 752910
Description/Abstract:
Ab-initio phonon calculation for Na3BiO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmmm (65)
,
Na3BiO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Li2FeBr4 / Cmmm (65) / materials id 22967
Description/Abstract:
Ab-initio phonon calculation for Li2FeBr4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmmm (65)
,
Li2FeBr4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Ba3Na2Ti3Nb2O15 / Cmmm (65) / materials id 40873
Description/Abstract:
Ab-initio phonon calculation for Ba3Na2Ti3Nb2O15 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba3Na2Ti3Nb2O15
,
Cmmm (65)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Mg3ZnO4 / Cmmm (65) / materials id 753315
Description/Abstract:
Ab-initio phonon calculation for Mg3ZnO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmmm (65)
,
Mg3ZnO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for LiLa4CuO8 / Cmmm (65) / materials id 21496
Description/Abstract:
Ab-initio phonon calculation for LiLa4CuO8 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
LiLa4CuO8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca3CdO4 / Cmmm (65) / materials id 755287
Description/Abstract:
Ab-initio phonon calculation for Ca3CdO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca3CdO4
,
Cmmm (65)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) / materials id 754478
Description/Abstract:
Ab-initio phonon calculation for HfZrO4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
HfZrO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Dataset
18
Collection
MDR phonon calculation database
18
Keyword
Cmmm (65)
[remove]
18
Phonon
18
Ba2Nd7Si11N23
1
Ba3Na2Ti3Nb2O15
1
Ca3CdO4
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Publisher
NIMS
18
Resource type
Dataset
18
Visibility
open
18
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
18
Data origin
simulation
18
Author
Atsushi Togo
18
Funder
MEXT
18
Software
VASP
18
phonopy
18
spglib
18