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Ab-initio phonon calculation for Cd(GaTe2)2 / I-4 (82) / materials id 13949
Description/Abstract:
Ab-initio phonon calculation for Cd(GaTe2)2 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cd(GaTe2)2
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sr3TaAs3O / Pnma (62) / materials id 18199
Description/Abstract:
Ab-initio phonon calculation for Sr3TaAs3O / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr3TaAs3O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2Hg(PSe3)2 / P2_1/c (14) / materials id 568855
Description/Abstract:
Ab-initio phonon calculation for K2Hg(PSe3)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K2Hg(PSe3)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Na2SnO2 / Pbcn (60) / materials id 778057
Description/Abstract:
Ab-initio phonon calculation for Na2SnO2 / Pbcn (60) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Na2SnO2
,
Pbcn (60)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for GaCuO2 / R-3m (166) / materials id 4280
Description/Abstract:
Ab-initio phonon calculation for GaCuO2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
GaCuO2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CaAl2Si2(H2O5)2 / Pna2_1 (33) / materials id 24603
Description/Abstract:
Ab-initio phonon calculation for CaAl2Si2(H2O5)2 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, ...
Keyword:
CaAl2Si2(H2O5)2
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca2VN3 / C2/c (15) / materials id 17892
Description/Abstract:
Ab-initio phonon calculation for Ca2VN3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/c (15)
,
Ca2VN3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2Cd3S4 / Pnma (62) / materials id 18556
Description/Abstract:
Ab-initio phonon calculation for Rb2Cd3S4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Phonon
,
Pnma (62)
, and
Rb2Cd3S4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for K2Th(PSe3)3 / P2_1/c (14) / materials id 568203
Description/Abstract:
Ab-initio phonon calculation for K2Th(PSe3)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K2Th(PSe3)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for CsAlF4 / P-62m (189) / materials id 554899
Description/Abstract:
Ab-initio phonon calculation for CsAlF4 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
CsAlF4
,
P-62m (189)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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10,034
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MDR phonon calculation database
10,034
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
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10,034
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Atsushi Togo
10,034
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MEXT
10,034
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10,034
phonopy
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spglib
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