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Ab-initio phonon calculation for NaZr2ZnF11 / C2/m (12) / materials id 15141
Description/Abstract:
Ab-initio phonon calculation for NaZr2ZnF11 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/m (12)
,
NaZr2ZnF11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsIn5S8 / C2/m (12) / materials id 22007
Description/Abstract:
Ab-initio phonon calculation for CsIn5S8 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
CsIn5S8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaCO3 / C2/m (12) / materials id 676020
Description/Abstract:
Ab-initio phonon calculation for BaCO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaCO3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbCu3S2 / C2/m (12) / materials id 10985
Description/Abstract:
Ab-initio phonon calculation for RbCu3S2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
RbCu3S2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for GeAs / C2/m (12) / materials id 9548
Description/Abstract:
Ab-initio phonon calculation for GeAs / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
GeAs
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Al2O3F2 / C2/m (12) / materials id 974451
Description/Abstract:
Ab-initio phonon calculation for K2Al2O3F2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
K2Al2O3F2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for F2 / C2/m (12) / materials id 561367
Description/Abstract:
Ab-initio phonon calculation for F2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw ...
Keyword:
C2/m (12)
,
F2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NbAlO4 / C2/m (12) / materials id 753472
Description/Abstract:
Ab-initio phonon calculation for NbAlO4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
NbAlO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaErPO4F / C2/m (12) / materials id 10935
Description/Abstract:
Ab-initio phonon calculation for NaErPO4F / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
NaErPO4F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TaNO / C2/m (12) / materials id 5813
Description/Abstract:
Ab-initio phonon calculation for TaNO / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
Phonon
, and
TaNO
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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368
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MDR phonon calculation database
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C2/m (12)
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368
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Atsushi Togo
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spglib
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