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Pbca (61)
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Ab-initio phonon calculation for Ca2SiH2O5 / Pbca (61) / materials id 541431
Description/Abstract:
Ab-initio phonon calculation for Ca2SiH2O5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca2SiH2O5
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li5GaO4 / Pbca (61) / materials id 4657
Description/Abstract:
Ab-initio phonon calculation for Li5GaO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Li5GaO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776427
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs3HgI5 / Pbca (61) / materials id 651121
Description/Abstract:
Ab-initio phonon calculation for Cs3HgI5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cs3HgI5
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsK4TlO4 / Pbca (61) / materials id 562074
Description/Abstract:
Ab-initio phonon calculation for CsK4TlO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsK4TlO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs2MgH8(CO5)2 / Pbca (61) / materials id 733936
Description/Abstract:
Ab-initio phonon calculation for Cs2MgH8(CO5)2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2MgH8(CO5)2
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for ZrO2 / Pbca (61) / materials id 776404
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Pbca (61)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Sr3MoN4 / Pbca (61) / materials id 31356
Description/Abstract:
Ab-initio phonon calculation for Sr3MoN4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pbca (61)
,
Phonon
, and
Sr3MoN4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for ZnH4SeO6 / Pbca (61) / materials id 605344
Description/Abstract:
Ab-initio phonon calculation for ZnH4SeO6 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbca (61)
,
Phonon
, and
ZnH4SeO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Nd3NCl6 / Pbca (61) / materials id 570061
Description/Abstract:
Ab-initio phonon calculation for Nd3NCl6 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Nd3NCl6
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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Pbca (61)
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Atsushi Togo
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MEXT
128
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phonopy
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