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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 NaIO4 / I4_1/a (88) / materials id 27401
Description/Abstract:
Ab-initio phonon calculation for NaIO4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4_1/a (88)
,
NaIO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li3NbS4 / P-43m (215) / materials id 755309
Description/Abstract:
Ab-initio phonon calculation for Li3NbS4 / P-43m (215) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li3NbS4
,
P-43m (215)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) / materials id 756888
Description/Abstract:
Ab-initio phonon calculation for La2(SiO3)3 / P6_3/m (176) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
La2(SiO3)3
,
P6_3/m (176)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HgO / P3_121 (152) / materials id 7826
Description/Abstract:
Ab-initio phonon calculation for HgO / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HgO
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Hg3(TeI)2 / C2/c (15) / materials id 28579
Description/Abstract:
Ab-initio phonon calculation for Hg3(TeI)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Hg3(TeI)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sm2Ti3(BiO6)2 / I4/mmm (139) / materials id 557438
Description/Abstract:
Ab-initio phonon calculation for Sm2Ti3(BiO6)2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
I4/mmm (139)
,
Phonon
, and
Sm2Ti3(BiO6)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2BN2Cl / I4_132 (214) / materials id 568923
Description/Abstract:
Ab-initio phonon calculation for Ba2BN2Cl / I4_132 (214) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2BN2Cl
,
I4_132 (214)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Zn2PHO5 / Pnnm (58) / materials id 24004
Description/Abstract:
Ab-initio phonon calculation for Zn2PHO5 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
Pnnm (58)
, and
Zn2PHO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for ReO2F3 / P2_1/c (14) / materials id 556419
Description/Abstract:
Ab-initio phonon calculation for ReO2F3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
ReO2F3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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