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Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412
Description/Abstract:
Ab-initio phonon calculation for In(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
In(HO)3
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659
Description/Abstract:
Ab-initio phonon calculation for HgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgPbF6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221
Description/Abstract:
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca2Hf7O16
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836
Description/Abstract:
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2In12Se19
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) / materials id 754266
Description/Abstract:
Ab-initio phonon calculation for Li8TiS6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li8TiS6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) / materials id 558428
Description/Abstract:
Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba9Sc2(SiO4)6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KPF6 / R-3 (148) / materials id 4608
Description/Abstract:
Ab-initio phonon calculation for KPF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
KPF6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La3ScO6 / R-3 (148) / materials id 752569
Description/Abstract:
Ab-initio phonon calculation for La3ScO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La3ScO6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li8SnO6 / R-3 (148) / materials id 4527
Description/Abstract:
Ab-initio phonon calculation for Li8SnO6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li8SnO6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) / materials id 541451
Description/Abstract:
Ab-initio phonon calculation for Ga2(SO4)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ga2(SO4)3
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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MDR phonon calculation database
196
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Phonon
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R-3 (148)
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196
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Atsushi Togo
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MEXT
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phonopy
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spglib
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