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Ab-initio phonon calculation for Rb3Na(RuO4)2 / P-3m1 (164) / materials id 12046
Description/Abstract:
Ab-initio phonon calculation for Rb3Na(RuO4)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P-3m1 (164)
,
Phonon
, and
Rb3Na(RuO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) / materials id 3582
Description/Abstract:
Ab-initio phonon calculation for Mg(BC)2 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmce (64)
,
Mg(BC)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) / materials id 530303
Description/Abstract:
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cm (8)
,
Mg(GaO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li2TiO3 / C2/c (15) / materials id 36864
Description/Abstract:
Ab-initio phonon calculation for Li2TiO3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
Li2TiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) / materials id 717
Description/Abstract:
Ab-initio phonon calculation for B2O3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
B2O3
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) / materials id 23651
Description/Abstract:
Ab-initio phonon calculation for Na4Al3Ge3IO12 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Na4Al3Ge3IO12
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) / materials id 557233
Description/Abstract:
Ab-initio phonon calculation for AlTlF4 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AlTlF4
,
I4/mcm (140)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrHgO2 / R-3m (166) / materials id 978857
Description/Abstract:
Ab-initio phonon calculation for SrHgO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3m (166)
, and
SrHgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cd3(ClO)2 / P2_1/c (14) / materials id 29297
Description/Abstract:
Ab-initio phonon calculation for Cd3(ClO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cd3(ClO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3NaNd3(Si3O10)2 / Ama2 (40) / materials id 559502
Description/Abstract:
Ab-initio phonon calculation for Ba3NaNd3(Si3O10)2 / Ama2 (40) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
Ama2 (40)
,
Ba3NaNd3(Si3O10)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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