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Ab-initio phonon calculation for BaS3 / P2_12_12 (18) / materials id 556296
Description/Abstract:
Ab-initio phonon calculation for BaS3 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaS3
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sb6Pb6S17 / P2_12_12 (18) / materials id 630376
Description/Abstract:
Ab-initio phonon calculation for Sb6Pb6S17 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_12_12 (18)
,
Phonon
, and
Sb6Pb6S17
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3BeAl(SiO4)2 / P2_12_12 (18) / materials id 556258
Description/Abstract:
Ab-initio phonon calculation for Na3BeAl(SiO4)2 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume,...
Keyword:
Na3BeAl(SiO4)2
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Re3Te8Cl3 / P2_12_12 (18) / materials id 29499
Description/Abstract:
Ab-initio phonon calculation for Re3Te8Cl3 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_12_12 (18)
,
Phonon
, and
Re3Te8Cl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr5Zr3F22 / P2_12_12 (18) / materials id 29085
Description/Abstract:
Ab-initio phonon calculation for Sr5Zr3F22 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_12_12 (18)
,
Phonon
, and
Sr5Zr3F22
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Nb2PS10 / P2_12_12 (18) / materials id 648932
Description/Abstract:
Ab-initio phonon calculation for Nb2PS10 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Nb2PS10
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K9Bi(PS4)4 / P2_12_12 (18) / materials id 554554
Description/Abstract:
Ab-initio phonon calculation for K9Bi(PS4)4 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
K9Bi(PS4)4
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Sr2SnSe5 / P2_12_12 (18) / materials id 568525
Description/Abstract:
Ab-initio phonon calculation for Sr2SnSe5 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_12_12 (18)
,
Phonon
, and
Sr2SnSe5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for KLaSi(CN2)4 / P2_12_12 (18) / materials id 567129
Description/Abstract:
Ab-initio phonon calculation for KLaSi(CN2)4 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
KLaSi(CN2)4
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LiTi2(PO4)3 / P2_12_12 (18) / materials id 773843
Description/Abstract:
Ab-initio phonon calculation for LiTi2(PO4)3 / P2_12_12 (18) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
LiTi2(PO4)3
,
P2_12_12 (18)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
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Dataset
12
Collection
MDR phonon calculation database
12
Keyword
P2_12_12 (18)
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12
Phonon
12
BaS3
1
K9Bi(PS4)4
1
KLaSi(CN2)4
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NIMS
12
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Dataset
12
Visibility
open
12
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
12
Data origin
simulation
12
Author
Atsushi Togo
12
Funder
MEXT
12
Software
VASP
12
phonopy
12
spglib
12