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P2_1/m (11)
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Ab-initio phonon calculation for Na3CdPCO7 / P2_1/m (11) / materials id 767430
Description/Abstract:
Ab-initio phonon calculation for Na3CdPCO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3CdPCO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaN6 / P2_1/m (11) / materials id 1707
Description/Abstract:
Ab-initio phonon calculation for BaN6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaN6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pb3SO6 / P2_1/m (11) / materials id 22023
Description/Abstract:
Ab-initio phonon calculation for Pb3SO6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
Pb3SO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pr(HO)3 / P2_1/m (11) / materials id 626361
Description/Abstract:
Ab-initio phonon calculation for Pr(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Pr(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LuTa3O9 / P2_1/m (11) / materials id 756704
Description/Abstract:
Ab-initio phonon calculation for LuTa3O9 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LuTa3O9
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3Sm(PO4)2 / P2_1/m (11) / materials id 18019
Description/Abstract:
Ab-initio phonon calculation for K3Sm(PO4)2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
K3Sm(PO4)2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PbSeO3 / P2_1/m (11) / materials id 20716
Description/Abstract:
Ab-initio phonon calculation for PbSeO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
PbSeO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ErTa3O9 / P2_1/m (11) / materials id 756598
Description/Abstract:
Ab-initio phonon calculation for ErTa3O9 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
ErTa3O9
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2PAuS4 / P2_1/m (11) / materials id 9509
Description/Abstract:
Ab-initio phonon calculation for K2PAuS4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2PAuS4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na3SrPCO7 / P2_1/m (11) / materials id 767431
Description/Abstract:
Ab-initio phonon calculation for Na3SrPCO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3SrPCO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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206
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MDR phonon calculation database
206
Keyword
P2_1/m (11)
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Phonon
206
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NIMS
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Creative Commons BY Attribution 4.0 International
206
Data origin
simulation
[remove]
206
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Atsushi Togo
206
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MEXT
206
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VASP
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phonopy
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spglib
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