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Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) / materials id 776466
Description/Abstract:
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba2Ti6N2O11
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for CsTi3P5O19 / Cm (8) / materials id 561121
Description/Abstract:
Ab-initio phonon calculation for CsTi3P5O19 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cm (8)
,
CsTi3P5O19
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for MgAl2O4 / Cm (8) / materials id 531840
Description/Abstract:
Ab-initio phonon calculation for MgAl2O4 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
MgAl2O4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba8In8O19 / Cm (8) / materials id 757574
Description/Abstract:
Ab-initio phonon calculation for Ba8In8O19 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ba8In8O19
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hf3N2O3 / Cm (8) / materials id 761033
Description/Abstract:
Ab-initio phonon calculation for Hf3N2O3 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
Hf3N2O3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaBeSiO4 / Cm (8) / materials id 550751
Description/Abstract:
Ab-initio phonon calculation for BaBeSiO4 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaBeSiO4
,
Cm (8)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li4Ti7O16 / Cm (8) / materials id 762351
Description/Abstract:
Ab-initio phonon calculation for Li4Ti7O16 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cm (8)
,
Li4Ti7O16
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) / materials id 530303
Description/Abstract:
Ab-initio phonon calculation for Mg(GaO2)2 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Cm (8)
,
Mg(GaO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li5BiO5 / Cm (8) / materials id 29365
Description/Abstract:
Ab-initio phonon calculation for Li5BiO5 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
Li5BiO5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HoAgSe2 / Cm (8) / materials id 675376
Description/Abstract:
Ab-initio phonon calculation for HoAgSe2 / Cm (8) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cm (8)
,
HoAgSe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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66
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MDR phonon calculation database
66
Keyword
Cm (8)
[remove]
66
Phonon
66
Sr2Ti6N2O11
4
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NIMS
66
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66
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66
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66
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Atsushi Togo
66
Funder
MEXT
66
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VASP
66
phonopy
66
spglib
66