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111.
Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766
Description/Abstract:
Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaIn2O4
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
112.
Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412
Description/Abstract:
Ab-initio phonon calculation for In(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
In(HO)3
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
113.
Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465
Description/Abstract:
Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2TeCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
114.
Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) / materials id 780246
Description/Abstract:
Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Na2Bi4O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
115.
Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659
Description/Abstract:
Ab-initio phonon calculation for HgPbF6 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgPbF6
,
Phonon
, and
R-3 (148)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
116.
Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) / materials id 754646
Description/Abstract:
Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2Ge2O7
,
Fd-3m (227)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
117.
Ab-initio phonon calculation for KLaSiSe4 / P2_1 (4) / materials id 861606
Description/Abstract:
Ab-initio phonon calculation for KLaSiSe4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KLaSiSe4
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
118.
Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) / materials id 27425
Description/Abstract:
Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr(HO)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
119.
Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710
Description/Abstract:
Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KPr3Te8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
120.
Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107
Description/Abstract:
Ab-initio phonon calculation for Ga3PO7 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ga3PO7
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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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)
599
C2/m (12)
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NIMS
10,137
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10,137
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open
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
103