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P4_2/nmc (137)
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Ab-initio phonon calculation for Li5LaO4 / P4_2/nmc (137) / materials id 780259
Description/Abstract:
Ab-initio phonon calculation for Li5LaO4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li5LaO4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cd4OF6 / P4_2/nmc (137) / materials id 28855
Description/Abstract:
Ab-initio phonon calculation for Cd4OF6 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd4OF6
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4OF6 / P4_2/nmc (137) / materials id 754354
Description/Abstract:
Ab-initio phonon calculation for Ba4OF6 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba4OF6
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) / materials id 2574
Description/Abstract:
Ab-initio phonon calculation for ZrO2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P4_2/nmc (137)
,
Phonon
, and
ZrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na5LaO4 / P4_2/nmc (137) / materials id 780218
Description/Abstract:
Ab-initio phonon calculation for Na5LaO4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na5LaO4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Li5TlO4 / P4_2/nmc (137) / materials id 27483
Description/Abstract:
Ab-initio phonon calculation for Li5TlO4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li5TlO4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Li6MoN4 / P4_2/nmc (137) / materials id 8804
Description/Abstract:
Ab-initio phonon calculation for Li6MoN4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li6MoN4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sn2OF2 / P4_2/nmc (137) / materials id 753683
Description/Abstract:
Ab-initio phonon calculation for Sn2OF2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P4_2/nmc (137)
,
Phonon
, and
Sn2OF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Li6WN4 / P4_2/nmc (137) / materials id 3503
Description/Abstract:
Ab-initio phonon calculation for Li6WN4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li6WN4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for MgH12(ClO5)2 / P4_2/nmc (137) / materials id 707373
Description/Abstract:
Ab-initio phonon calculation for MgH12(ClO5)2 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
MgH12(ClO5)2
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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24
Collection
MDR phonon calculation database
24
Keyword
P4_2/nmc (137)
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24
Phonon
24
Ba4OF6
1
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NIMS
24
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24
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
24
Data origin
simulation
24
Author
Atsushi Togo
24
Funder
MEXT
24
Software
VASP
24
phonopy
24
spglib
24