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Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) / materials id 11321
Description/Abstract:
Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C222_1 (20)
,
Phonon
, and
Y3TaO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Ga2As3 / P2_1/c (14) / materials id 15432
Description/Abstract:
Ab-initio phonon calculation for K2Ga2As3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
K2Ga2As3
,
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 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 Nd2Pt2O7 / Fd-3m (227) / materials id 9765
Description/Abstract:
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Nd2Pt2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) / materials id 33667
Description/Abstract:
Ab-initio phonon calculation for LiDyS2 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
I4_1/amd (141)
,
LiDyS2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ti2CdO5 / Cmcm (63) / materials id 849246
Description/Abstract:
Ab-initio phonon calculation for Ti2CdO5 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
Phonon
, and
Ti2CdO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Sc(BO3)3 / P6_3cm (185) / materials id 14972
Description/Abstract:
Ab-initio phonon calculation for Ba3Sc(BO3)3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ba3Sc(BO3)3
,
P6_3cm (185)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TbRbSe2 / R-3m (166) / materials id 10782
Description/Abstract:
Ab-initio phonon calculation for TbRbSe2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
R-3m (166)
, and
TbRbSe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / P4_12_12 (92) / materials id 6945
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P4_12_12 (92) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P4_12_12 (92)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tb2BaPdO5 / P4/mbm (127) / materials id 9760
Description/Abstract:
Ab-initio phonon calculation for Tb2BaPdO5 / P4/mbm (127) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P4/mbm (127)
,
Phonon
, and
Tb2BaPdO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
10,034
Publication
9
Collection
MDR phonon calculation database
10,034
The history of DICE and NIMS Digital Library
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10,034
P2_1/c (14)
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10,034
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10,034
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10,043
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Creative Commons BY Attribution 4.0 International
10,040
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International
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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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10,043
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VASP
10,034
phonopy
10,034
spglib
10,034
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PHYSICAL REVIEW B
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Physical Review Applied
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SOLID STATE IONICS
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Science and Technology of Advanced Materials: Methods
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