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Fmm2 (42)
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Ab-initio phonon calculation for Cs3Li2F5 / Fmm2 (42) / materials id 558728
Description/Abstract:
Ab-initio phonon calculation for Cs3Li2F5 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs3Li2F5
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3Ti2O7 / Fmm2 (42) / materials id 770118
Description/Abstract:
Ab-initio phonon calculation for Ba3Ti2O7 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Ba3Ti2O7
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TlPbCl3 / Fmm2 (42) / materials id 676598
Description/Abstract:
Ab-initio phonon calculation for TlPbCl3 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Fmm2 (42)
,
Phonon
, and
TlPbCl3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca11AlSi3ClO18 / Fmm2 (42) / materials id 677078
Description/Abstract:
Ab-initio phonon calculation for Ca11AlSi3ClO18 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Ca11AlSi3ClO18
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ba4Ti3O10 / Fmm2 (42) / materials id 771189
Description/Abstract:
Ab-initio phonon calculation for Ba4Ti3O10 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba4Ti3O10
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Bi2CO5 / Fmm2 (42) / materials id 760411
Description/Abstract:
Ab-initio phonon calculation for Bi2CO5 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Bi2CO5
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for H20C3(N2O5)2 / Fmm2 (42) / materials id 766262
Description/Abstract:
Ab-initio phonon calculation for H20C3(N2O5)2 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fmm2 (42)
,
H20C3(N2O5)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Na3Ti2P2O10F / Fmm2 (42) / materials id 41191
Description/Abstract:
Ab-initio phonon calculation for Na3Ti2P2O10F / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fmm2 (42)
,
Na3Ti2P2O10F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for Ca3UN4 / Fmm2 (42) / materials id 675286
Description/Abstract:
Ab-initio phonon calculation for Ca3UN4 / Fmm2 (42) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Ca3UN4
,
Fmm2 (42)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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MDR phonon calculation database
9
Keyword
Fmm2 (42)
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Ba3Ti2O7
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NIMS
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9
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
9
Data origin
simulation
9
Author
Atsushi Togo
9
Funder
MEXT
9
Software
VASP
9
phonopy
9
spglib
9