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Pc (7)
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Ab-initio phonon calculation for Li2ZnSnS4 / Pc (7) / materials id 555186
Description/Abstract:
Ab-initio phonon calculation for Li2ZnSnS4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Li2ZnSnS4
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for GaSeBr7 / Pc (7) / materials id 23376
Description/Abstract:
Ab-initio phonon calculation for GaSeBr7 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
GaSeBr7
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Al2CdCl8 / Pc (7) / materials id 28361
Description/Abstract:
Ab-initio phonon calculation for Al2CdCl8 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Al2CdCl8
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for AlSCl7 / Pc (7) / materials id 555805
Description/Abstract:
Ab-initio phonon calculation for AlSCl7 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
AlSCl7
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nb2TlPS10 / Pc (7) / materials id 560847
Description/Abstract:
Ab-initio phonon calculation for Nb2TlPS10 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Nb2TlPS10
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for OsO2F3 / Pc (7) / materials id 557705
Description/Abstract:
Ab-initio phonon calculation for OsO2F3 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
OsO2F3
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for TlSb5S8 / Pc (7) / materials id 3267
Description/Abstract:
Ab-initio phonon calculation for TlSb5S8 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pc (7)
,
Phonon
, and
TlSb5S8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb3Bi2I9 / Pc (7) / materials id 29895
Description/Abstract:
Ab-initio phonon calculation for Rb3Bi2I9 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Pc (7)
,
Phonon
, and
Rb3Bi2I9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K6Ge2O7 / Pc (7) / materials id 5116
Description/Abstract:
Ab-initio phonon calculation for K6Ge2O7 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
K6Ge2O7
,
Pc (7)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ZnAg2GeO4 / Pc (7) / materials id 15144
Description/Abstract:
Ab-initio phonon calculation for ZnAg2GeO4 / Pc (7) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Pc (7)
,
Phonon
, and
ZnAg2GeO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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51
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MDR phonon calculation database
51
Keyword
Pc (7)
[remove]
51
Phonon
51
Al2CdCl8
1
AlSCl7
1
AlSeBr7
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NIMS
51
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51
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Creative Commons BY Attribution 4.0 International
51
Data origin
simulation
[remove]
51
Author
Atsushi Togo
51
Funder
MEXT
51
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VASP
51
phonopy
51
spglib
51