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Ab-initio phonon calculation for Sr2Mg(BO3)2 / C2/m (12) / materials id 13541
Description/Abstract:
Ab-initio phonon calculation for Sr2Mg(BO3)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
Phonon
, and
Sr2Mg(BO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li5SbO5 / C2/m (12) / materials id 29364
Description/Abstract:
Ab-initio phonon calculation for Li5SbO5 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Li5SbO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Li2TeO3 / C2/m (12) / materials id 559554
Description/Abstract:
Ab-initio phonon calculation for Li2TeO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Li2TeO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K2Ti6O13 / C2/m (12) / materials id 8065
Description/Abstract:
Ab-initio phonon calculation for K2Ti6O13 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K2Ti6O13
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for B8O / C2/m (12) / materials id 758933
Description/Abstract:
Ab-initio phonon calculation for B8O / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
B8O
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for TlCu3S2 / C2/m (12) / materials id 13829
Description/Abstract:
Ab-initio phonon calculation for TlCu3S2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
TlCu3S2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for La2Ti3O9 / C2/m (12) / materials id 758038
Description/Abstract:
Ab-initio phonon calculation for La2Ti3O9 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
La2Ti3O9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for K2Dy4Cu4Se9 / C2/m (12) / materials id 977368
Description/Abstract:
Ab-initio phonon calculation for K2Dy4Cu4Se9 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
K2Dy4Cu4Se9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Mg2P2O7 / C2/m (12) / materials id 5427
Description/Abstract:
Ab-initio phonon calculation for Mg2P2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Mg2P2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for RbLi7(SiO4)2 / C2/m (12) / materials id 554752
Description/Abstract:
Ab-initio phonon calculation for RbLi7(SiO4)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
C2/m (12)
,
Phonon
, and
RbLi7(SiO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
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Type of work
Dataset
368
Collection
MDR phonon calculation database
368
Keyword
C2/m (12)
[remove]
368
Phonon
368
Li2TeO3
2
LiSbO3
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NIMS
368
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368
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Creative Commons BY Attribution 4.0 International
368
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simulation
368
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Atsushi Togo
368
Funder
MEXT
368
Software
VASP
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368
phonopy
368
spglib
368