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Ab-initio phonon calculation for CoPSe / Pbca (61) / materials id 10368
Description/Abstract:
Ab-initio phonon calculation for CoPSe / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CoPSe
,
Pbca (61)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrTaNO2 / Pm (6) / materials id 755441
Description/Abstract:
Ab-initio phonon calculation for SrTaNO2 / Pm (6) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Phonon
,
Pm (6)
, and
SrTaNO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rb2TeBr6 / I4/m (87) / materials id 570324
Description/Abstract:
Ab-initio phonon calculation for Rb2TeBr6 / I4/m (87) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4/m (87)
,
Phonon
, and
Rb2TeBr6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for YAgO2 / P6_3/mmc (194) / materials id 30250
Description/Abstract:
Ab-initio phonon calculation for YAgO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P6_3/mmc (194)
,
Phonon
, and
YAgO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Lu2GeO5 / Pnma (62) / materials id 768865
Description/Abstract:
Ab-initio phonon calculation for Lu2GeO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Lu2GeO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ba2TiS4 / Pnma (62) / materials id 17908
Description/Abstract:
Ab-initio phonon calculation for Ba2TiS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ba2TiS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for ZrIN / R-3m (166) / materials id 580886
Description/Abstract:
Ab-initio phonon calculation for ZrIN / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Phonon
,
R-3m (166)
, and
ZrIN
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Li2CdSiO4 / Pnma (62) / materials id 557293
Description/Abstract:
Ab-initio phonon calculation for Li2CdSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li2CdSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Bi24Cl10O31 / P2/c (13) / materials id 560085
Description/Abstract:
Ab-initio phonon calculation for Bi24Cl10O31 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Bi24Cl10O31
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrLi2Ti6O14 / Cmce (64) / materials id 16691
Description/Abstract:
Ab-initio phonon calculation for SrLi2Ti6O14 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cmce (64)
,
Phonon
, and
SrLi2Ti6O14
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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Phonon
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10,034
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Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
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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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VASP
10,034
phonopy
10,034
spglib
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