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Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) / materials id 29460
Description/Abstract:
Ab-initio phonon calculation for Tl3PdCl5 / Pbca (61) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbca (61)
,
Phonon
, and
Tl3PdCl5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) / materials id 16281
Description/Abstract:
Ab-initio phonon calculation for Cd2Sb2O7 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cd2Sb2O7
,
Imma (74)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) / materials id 4104
Description/Abstract:
Ab-initio phonon calculation for HoPO4 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
HoPO4
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) / materials id 29484
Description/Abstract:
Ab-initio phonon calculation for K4HgAs2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K4HgAs2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) / materials id 27839
Description/Abstract:
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2TiCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) / materials id 29222
Description/Abstract:
Ab-initio phonon calculation for Ba2Si3O8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2Si3O8
,
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 Na2BeSiO4 / Pca2_1 (29) / materials id 6236
Description/Abstract:
Ab-initio phonon calculation for Na2BeSiO4 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na2BeSiO4
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbS / Fm-3m (225) / materials id 1820
Description/Abstract:
Ab-initio phonon calculation for YbS / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
YbS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ag2S / C2/m (12) / materials id 32884
Description/Abstract:
Ab-initio phonon calculation for Ag2S / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ag2S
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) / materials id 866650
Description/Abstract:
Ab-initio phonon calculation for La2Si4CN6 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
La2Si4CN6
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,144
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MDR phonon calculation database
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Koichi Sakamoto
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Masashi Ishii
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