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Ab-initio phonon calculation for Hf2P2O9 / C2/m (12) / materials id 555344
Description/Abstract:
Ab-initio phonon calculation for Hf2P2O9 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Hf2P2O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na5ReO6 / C2/m (12) / materials id 8253
Description/Abstract:
Ab-initio phonon calculation for Na5ReO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Na5ReO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K(TeO3)2 / C2/m (12) / materials id 561973
Description/Abstract:
Ab-initio phonon calculation for K(TeO3)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K(TeO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2PdO3 / C2/m (12) / materials id 760483
Description/Abstract:
Ab-initio phonon calculation for Li2PdO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Li2PdO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Ti11O26 / C2/m (12) / materials id 774530
Description/Abstract:
Ab-initio phonon calculation for Ba4Ti11O26 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba4Ti11O26
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2(NbCl3)3 / C2/m (12) / materials id 28501
Description/Abstract:
Ab-initio phonon calculation for K2(NbCl3)3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/m (12)
,
K2(NbCl3)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) / materials id 13055
Description/Abstract:
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2LaTaO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) / materials id 567371
Description/Abstract:
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
Phonon
, and
Sr3Li4(GeN3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TeI / C2/m (12) / materials id 569766
Description/Abstract:
Ab-initio phonon calculation for TeI / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2/m (12)
,
Phonon
, and
TeI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3LiF4 / C2/m (12) / materials id 559766
Description/Abstract:
Ab-initio phonon calculation for Cs3LiF4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Cs3LiF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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368
Phonon
368
Li2TeO3
2
LiSbO3
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NIMS
368
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368
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368
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
368
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simulation
368
Author
Atsushi Togo
368
Funder
MEXT
368
Software
VASP
368
phonopy
368
spglib
368