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Ab-initio phonon calculation for NaNb4Tl3P2O17 / Ama2 (40) / materials id 556062
Description/Abstract:
Ab-initio phonon calculation for NaNb4Tl3P2O17 / Ama2 (40) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ama2 (40)
,
NaNb4Tl3P2O17
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2ZrGe2O7 / C2/c (15) / materials id 16871
Description/Abstract:
Ab-initio phonon calculation for K2ZrGe2O7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
K2ZrGe2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs2Ti(CuSe2)2 / P4_2/mcm (132) / materials id 10489
Description/Abstract:
Ab-initio phonon calculation for Cs2Ti(CuSe2)2 / P4_2/mcm (132) Phonon band structure, phonon DOS, thermal properties at constant volume,...
Keyword:
Cs2Ti(CuSe2)2
,
P4_2/mcm (132)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SmNbO4 / C2/c (15) / materials id 14152
Description/Abstract:
Ab-initio phonon calculation for SmNbO4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
Phonon
, and
SmNbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for La2O3 / P-3m1 (164) / materials id 1968
Description/Abstract:
Ab-initio phonon calculation for La2O3 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
La2O3
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaErF4 / I4_1/amd (141) / materials id 674459
Description/Abstract:
Ab-initio phonon calculation for NaErF4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
NaErF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Zn2AsHO5 / Pnnm (58) / materials id 721702
Description/Abstract:
Ab-initio phonon calculation for Zn2AsHO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnnm (58)
, and
Zn2AsHO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for P2Pb8O13 / C2/m (12) / materials id 31069
Description/Abstract:
Ab-initio phonon calculation for P2Pb8O13 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
P2Pb8O13
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) / materials id 867570
Description/Abstract:
Ab-initio phonon calculation for Rb4Sb2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb4Sb2O5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) / materials id 770936
Description/Abstract:
Ab-initio phonon calculation for Ba2Sc2O5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Sc2O5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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10,034
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8
Collection
MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
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10,034
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10,034
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10,034
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10,042
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Creative Commons BY Attribution 4.0 International
10,039
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10,034
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Atsushi Togo
10,034
Hiori Kino
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Takashi Miyake
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Hieu Chi Dam
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Anh Tuan Nguyen
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10,042
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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