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Atsushi Togo
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Cmmm (65)
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Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) / materials id 558325
Description/Abstract:
Ab-initio phonon calculation for K2YNb5O15 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
K2YNb5O15
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) / materials id 765970
Description/Abstract:
Ab-initio phonon calculation for Ti3Sn7O20 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
Phonon
, and
Ti3Sn7O20
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Cmmm (65) / materials id 560998
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmmm (65)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2MgBr4 / Cmmm (65) / materials id 29009
Description/Abstract:
Ab-initio phonon calculation for Li2MgBr4 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmmm (65)
,
Li2MgBr4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for La2CN3Cl / Cmmm (65) / materials id 567756
Description/Abstract:
Ab-initio phonon calculation for La2CN3Cl / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmmm (65)
,
La2CN3Cl
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for LiLa4AuO8 / Cmmm (65) / materials id 560605
Description/Abstract:
Ab-initio phonon calculation for LiLa4AuO8 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmmm (65)
,
LiLa4AuO8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for KSc2F7 / Cmmm (65) / materials id 28439
Description/Abstract:
Ab-initio phonon calculation for KSc2F7 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
KSc2F7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Nb3O7F / Cmmm (65) / materials id 753459
Description/Abstract:
Ab-initio phonon calculation for Nb3O7F / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cmmm (65)
,
Nb3O7F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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
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
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MDR phonon calculation database
18
Keyword
Cmmm (65)
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Phonon
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Ba2Nd7Si11N23
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Ba3Na2Ti3Nb2O15
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18
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Author
Atsushi Togo
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Funder
MEXT
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VASP
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phonopy
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spglib
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