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10111.
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) / materials id 14951
Description/Abstract:
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
Rb3AlO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10112.
Ab-initio phonon calculation for TlCl / Fm-3m (225) / materials id 569639
Description/Abstract:
Ab-initio phonon calculation for TlCl / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlCl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10113.
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) / materials id 6032
Description/Abstract:
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
SrSi2(BO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10114.
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Description/Abstract:
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
MgTi2(PO5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10115.
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) / materials id 556231
Description/Abstract:
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
In2GaBiS6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10116.
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) / materials id 557529
Description/Abstract:
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Na5P3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10117.
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) / materials id 762279
Description/Abstract:
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K2Ti8O17
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10118.
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) / materials id 531820
Description/Abstract:
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li4Ti7O16
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10119.
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) / materials id 7198
Description/Abstract:
Ab-initio phonon calculation for SrPSe3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrPSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
10120.
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) / materials id 561179
Description/Abstract:
Ab-initio phonon calculation for Ba2CuIO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2CuIO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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NIMS
10,137
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10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
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10,137
phono3py
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