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C2/m (12)
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Ab-initio phonon calculation for Y2HgO4 / C2/m (12) / materials id 756103
Description/Abstract:
Ab-initio phonon calculation for Y2HgO4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Phonon
, and
Y2HgO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Bi2(PbS2)3 / C2/m (12) / materials id 629690
Description/Abstract:
Ab-initio phonon calculation for Bi2(PbS2)3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Bi2(PbS2)3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cs3ScO3 / C2/m (12) / materials id 756505
Description/Abstract:
Ab-initio phonon calculation for Cs3ScO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Cs3ScO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Sc2Ti2O7 / C2/m (12) / materials id 753802
Description/Abstract:
Ab-initio phonon calculation for Sc2Ti2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
Phonon
, and
Sc2Ti2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Dy3Si2Cl5O6 / C2/m (12) / materials id 560593
Description/Abstract:
Ab-initio phonon calculation for Dy3Si2Cl5O6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/m (12)
,
Dy3Si2Cl5O6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Bi20(PtBr12)3 / C2/m (12) / materials id 568819
Description/Abstract:
Ab-initio phonon calculation for Bi20(PtBr12)3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Bi20(PtBr12)3
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb3InS3 / C2/m (12) / materials id 22303
Description/Abstract:
Ab-initio phonon calculation for Rb3InS3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
Rb3InS3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2NdBiO6 / C2/m (12) / materials id 546321
Description/Abstract:
Ab-initio phonon calculation for Ba2NdBiO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2NdBiO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for KGa(PO3)4 / C2/m (12) / materials id 555554
Description/Abstract:
Ab-initio phonon calculation for KGa(PO3)4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/m (12)
,
KGa(PO3)4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for P2Pb3O8 / C2/m (12) / materials id 553956
Description/Abstract:
Ab-initio phonon calculation for P2Pb3O8 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
P2Pb3O8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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368
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MDR phonon calculation database
368
Keyword
C2/m (12)
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368
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368
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Atsushi Togo
368
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MEXT
368
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VASP
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phonopy
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