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Pc (7)
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Ab-initio phonon calculation for ZnSi(AgO2)2 / Pc (7) / materials id 9359
Description/Abstract:
Ab-initio phonon calculation for ZnSi(AgO2)2 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pc (7)
,
Phonon
, and
ZnSi(AgO2)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
19/05/2023
Ab-initio phonon calculation for Sr3LaBr9 / Pc (7) / materials id 771955
Description/Abstract:
Ab-initio phonon calculation for Sr3LaBr9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Pc (7)
,
Phonon
, and
Sr3LaBr9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for LiH3(SeO3)2 / Pc (7) / materials id 696288
Description/Abstract:
Ab-initio phonon calculation for LiH3(SeO3)2 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiH3(SeO3)2
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for NbAg7S6 / Pc (7) / materials id 3926
Description/Abstract:
Ab-initio phonon calculation for NbAg7S6 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
NbAg7S6
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BaAs2 / Pc (7) / materials id 31243
Description/Abstract:
Ab-initio phonon calculation for BaAs2 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
BaAs2
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for LiAlSiO4 / Pc (7) / materials id 556544
Description/Abstract:
Ab-initio phonon calculation for LiAlSiO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
LiAlSiO4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ba3LaBr9 / Pc (7) / materials id 772024
Description/Abstract:
Ab-initio phonon calculation for Ba3LaBr9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Ba3LaBr9
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for AlSeBr7 / Pc (7) / materials id 29408
Description/Abstract:
Ab-initio phonon calculation for AlSeBr7 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
AlSeBr7
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Na2Zr12B2I5Cl23 / Pc (7) / materials id 532604
Description/Abstract:
Ab-initio phonon calculation for Na2Zr12B2I5Cl23 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na2Zr12B2I5Cl23
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for Sr3LaCl9 / Pc (7) / materials id 771883
Description/Abstract:
Ab-initio phonon calculation for Sr3LaCl9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Pc (7)
,
Phonon
, and
Sr3LaCl9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
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MDR phonon calculation database
51
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Pc (7)
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Atsushi Togo
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51
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phonopy
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