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Ab-initio phonon calculation for Na2H10SO5 / Cmcm (63) / materials id 24029
Description/Abstract:
Ab-initio phonon calculation for Na2H10SO5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmcm (63)
,
Na2H10SO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrBiBrO2 / Cmcm (63) / materials id 552234
Description/Abstract:
Ab-initio phonon calculation for SrBiBrO2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmcm (63)
,
Phonon
, and
SrBiBrO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Hf(SeCl6)2 / Fdd2 (43) / materials id 571313
Description/Abstract:
Ab-initio phonon calculation for Hf(SeCl6)2 / Fdd2 (43) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fdd2 (43)
,
Hf(SeCl6)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for BaLa2MnS5 / I4/mcm (140) / materials id 6770
Description/Abstract:
Ab-initio phonon calculation for BaLa2MnS5 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
BaLa2MnS5
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr2SiCl2O3 / I4/m (87) / materials id 557304
Description/Abstract:
Ab-initio phonon calculation for Sr2SiCl2O3 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/m (87)
,
Phonon
, and
Sr2SiCl2O3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr(PIr)2 / P3_221 (154) / materials id 15074
Description/Abstract:
Ab-initio phonon calculation for Sr(PIr)2 / P3_221 (154) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P3_221 (154)
,
Phonon
, and
Sr(PIr)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2LiInCl6 / Fm-3m (225) / materials id 989583
Description/Abstract:
Ab-initio phonon calculation for Rb2LiInCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2LiInCl6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2GaSb2 / Pnma (62) / materials id 30077
Description/Abstract:
Ab-initio phonon calculation for K2GaSb2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K2GaSb2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KY(PSe3)2 / P2_12_12_1 (19) / materials id 571057
Description/Abstract:
Ab-initio phonon calculation for KY(PSe3)2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
KY(PSe3)2
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ti5(PO5)4 / P2_12_12_1 (19) / materials id 559530
Description/Abstract:
Ab-initio phonon calculation for Ti5(PO5)4 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Ti5(PO5)4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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Type of work
Dataset
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)
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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
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MEXT
10,034
Software
VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
103