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Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) / materials id 31416
Description/Abstract:
Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C222_1 (20)
,
Ho3TaO7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiB(HO2)2 / P2_1/c (14) / materials id 698205
Description/Abstract:
Ab-initio phonon calculation for LiB(HO2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
LiB(HO2)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for HoHSe / P-6m2 (187) / materials id 24012
Description/Abstract:
Ab-initio phonon calculation for HoHSe / P-6m2 (187) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
HoHSe
,
P-6m2 (187)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La3Al5O12 / Ia-3d (230) / materials id 780432
Description/Abstract:
Ab-initio phonon calculation for La3Al5O12 / Ia-3d (230) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ia-3d (230)
,
La3Al5O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 768510
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:
26/05/2023
Ab-initio phonon calculation for GaTe / C2/m (12) / materials id 542812
Description/Abstract:
Ab-initio phonon calculation for GaTe / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/m (12)
,
GaTe
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2ZrS4 / I4/mmm (139) / materials id 3813
Description/Abstract:
Ab-initio phonon calculation for Ba2ZrS4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2ZrS4
,
I4/mmm (139)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2S / Fm-3m (225) / materials id 1022
Description/Abstract:
Ab-initio phonon calculation for K2S / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
K2S
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) / materials id 18578
Description/Abstract:
Ab-initio phonon calculation for TlZnAsO4 / P2_1 (4) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1 (4)
,
Phonon
, and
TlZnAsO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cs3Zr7BCl20 / R-3c (167) / materials id 567781
Description/Abstract:
Ab-initio phonon calculation for Cs3Zr7BCl20 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs3Zr7BCl20
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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10,137
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Phonon
10,137
P2_1/c (14)
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Pnma (62)
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10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
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Atsushi Togo
10,137
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10,034
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VASP
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phonopy
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spglib
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10,137
phono3py
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