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Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) / materials id 570646
Description/Abstract:
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Nd4Te3N2
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) / materials id 989567
Description/Abstract:
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs2RbTlF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ca5P8 / C2/m (12) / materials id 28879
Description/Abstract:
Ab-initio phonon calculation for Ca5P8 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/m (12)
,
Ca5P8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 772086
Description/Abstract:
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba4Sn3O10
,
Cmce (64)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) / materials id 572551
Description/Abstract:
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cs2U(Br2O)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Nd2Si2O7 / P2_12_12_1 (19) / materials id 556771
Description/Abstract:
Ab-initio phonon calculation for Nd2Si2O7 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Nd2Si2O7
,
P2_12_12_1 (19)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm3Si6N11 / P4bm (100) / materials id 16995
Description/Abstract:
Ab-initio phonon calculation for Sm3Si6N11 / P4bm (100) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P4bm (100)
,
Phonon
, and
Sm3Si6N11
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for RbClO4 / F-43m (216) / materials id 550759
Description/Abstract:
Ab-initio phonon calculation for RbClO4 / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
F-43m (216)
,
Phonon
, and
RbClO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) / materials id 753662
Description/Abstract:
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2Mg2O3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for LiBiF4 / I4_1/a (88) / materials id 28567
Description/Abstract:
Ab-initio phonon calculation for LiBiF4 / I4_1/a (88) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
I4_1/a (88)
,
LiBiF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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