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Cmce (64)
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Ab-initio phonon calculation for K3Na2SnP3 / Cmce (64) / materials id 16847
Description/Abstract:
Ab-initio phonon calculation for K3Na2SnP3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmce (64)
,
K3Na2SnP3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) / materials id 558894
Description/Abstract:
Ab-initio phonon calculation for Ba4Ti2PtO10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba4Ti2PtO10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) / materials id 29794
Description/Abstract:
Ab-initio phonon calculation for Ba2PdF6 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2PdF6
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) / materials id 559923
Description/Abstract:
Ab-initio phonon calculation for Nb(PS4)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmce (64)
,
Nb(PS4)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3CuO3 / Cmce (64) / materials id 28556
Description/Abstract:
Ab-initio phonon calculation for Na3CuO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Na3CuO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for MoBr2 / Cmce (64) / materials id 29555
Description/Abstract:
Ab-initio phonon calculation for MoBr2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Cmce (64)
,
MoBr2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 768510
Description/Abstract:
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba4Sn3O10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) / materials id 3582
Description/Abstract:
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Mg(BC)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2PSe3 / Cmce (64) / materials id 567228
Description/Abstract:
Ab-initio phonon calculation for Na2PSe3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Na2PSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) / materials id 5403
Description/Abstract:
Ab-initio phonon calculation for Rb2TiO3 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Phonon
, and
Rb2TiO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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MDR phonon calculation database
91
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Cmce (64)
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91
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Atsushi Togo
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MEXT
91
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phonopy
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spglib
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