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Aem2 (39)
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Ab-initio phonon calculation for Li5V5Cl16 / Aem2 (39) / materials id 532443
Description/Abstract:
Ab-initio phonon calculation for Li5V5Cl16 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Aem2 (39)
,
Li5V5Cl16
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl3In2Se5 / Aem2 (39) / materials id 686102
Description/Abstract:
Ab-initio phonon calculation for Tl3In2Se5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Aem2 (39)
,
Phonon
, and
Tl3In2Se5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Bi2TeO5 / Aem2 (39) / materials id 23334
Description/Abstract:
Ab-initio phonon calculation for Bi2TeO5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Aem2 (39)
,
Bi2TeO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for LiHO / Aem2 (39) / materials id 625998
Description/Abstract:
Ab-initio phonon calculation for LiHO / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Aem2 (39)
,
LiHO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Bi2SeO5 / Aem2 (39) / materials id 29839
Description/Abstract:
Ab-initio phonon calculation for Bi2SeO5 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Aem2 (39)
,
Bi2SeO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for GaH3NF3 / Aem2 (39) / materials id 643759
Description/Abstract:
Ab-initio phonon calculation for GaH3NF3 / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Aem2 (39)
,
GaH3NF3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for TlF / Aem2 (39) / materials id 558134
Description/Abstract:
Ab-initio phonon calculation for TlF / Aem2 (39) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Aem2 (39)
,
Phonon
, and
TlF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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7
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MDR phonon calculation database
7
Keyword
Aem2 (39)
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Phonon
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NIMS
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Creative Commons BY Attribution 4.0 International
7
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Atsushi Togo
7
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MEXT
7
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VASP
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phonopy
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spglib
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