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Ab-initio phonon calculation for K5YO4 / Pbca (61) / materials id 769262
Description/Abstract:
Ab-initio phonon calculation for K5YO4 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
K5YO4
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) / materials id 556806
Description/Abstract:
Ab-initio phonon calculation for BaNa2(SiO3)2 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaNa2(SiO3)2
,
P2_1 (4)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) / materials id 1392
Description/Abstract:
Ab-initio phonon calculation for ZnP2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
ZnP2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) / materials id 6037
Description/Abstract:
Ab-initio phonon calculation for Ba2SmSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2SmSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) / materials id 29143
Description/Abstract:
Ab-initio phonon calculation for Na3VS4 / P-42_1c (114) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na3VS4
,
P-42_1c (114)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) / materials id 9077
Description/Abstract:
Ab-initio phonon calculation for Nd2Be2SiO7 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nd2Be2SiO7
,
P-42_1m (113)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) / materials id 7249
Description/Abstract:
Ab-initio phonon calculation for Ba3Nb2ZnO9 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba3Nb2ZnO9
,
P-3m1 (164)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for InI / Cmcm (63) / materials id 23202
Description/Abstract:
Ab-initio phonon calculation for InI / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
Cmcm (63)
,
InI
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) / materials id 11695
Description/Abstract:
Ab-initio phonon calculation for Rb2Pd3S4 / Fmmm (69) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fmmm (69)
,
Phonon
, and
Rb2Pd3S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) / materials id 673682
Description/Abstract:
Ab-initio phonon calculation for YbTb2S4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
I-42d (122)
,
Phonon
, and
YbTb2S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) / materials id 733604
Description/Abstract:
Ab-initio phonon calculation for Ba2Mg3H10 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2Mg3H10
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) / materials id 31276
Description/Abstract:
Ab-initio phonon calculation for Cd2PCl2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd2PCl2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) / materials id 28109
Description/Abstract:
Ab-initio phonon calculation for SbAsO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SbAsO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) / materials id 558267
Description/Abstract:
Ab-initio phonon calculation for NaLiSiB3HO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
NaLiSiB3HO8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for SrCaSi / Pnma (62) / materials id 7084
Description/Abstract:
Ab-initio phonon calculation for SrCaSi / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
Pnma (62)
, and
SrCaSi
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) / materials id 756624
Description/Abstract:
Ab-initio phonon calculation for Ba2SrI6 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2SrI6
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
Description/Abstract:
Ab-initio phonon calculation for KLa5(CCl5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
KLa5(CCl5)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) / materials id 3700
Description/Abstract:
Ab-initio phonon calculation for LiYF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
LiYF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) / materials id 778364
Description/Abstract:
Ab-initio phonon calculation for Na6Ti2O7 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na6Ti2O7
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) / materials id 9711
Description/Abstract:
Ab-initio phonon calculation for Ba2Si5N8 / Pmn2_1 (31) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si5N8
,
Phonon
, and
Pmn2_1 (31)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
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10,144
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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10,144
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Koichi Sakamoto
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10,034
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