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Ab-initio phonon calculation for LiInSiO4 / Pnma (62) / materials id 7205
Description/Abstract:
Ab-initio phonon calculation for LiInSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiInSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb3NaPbO4 / P2_1/c (14) / materials id 554584
Description/Abstract:
Ab-initio phonon calculation for Rb3NaPbO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P2_1/c (14)
,
Phonon
, and
Rb3NaPbO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) / materials id 556697
Description/Abstract:
Ab-initio phonon calculation for CaTa2Bi2O9 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CaTa2Bi2O9
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li2CuSb / F-43m (216) / materials id 15988
Description/Abstract:
Ab-initio phonon calculation for Li2CuSb / F-43m (216) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
F-43m (216)
,
Li2CuSb
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) / materials id 28316
Description/Abstract:
Ab-initio phonon calculation for K3LiSi4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
K3LiSi4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) / materials id 620372
Description/Abstract:
Ab-initio phonon calculation for Rb2Se5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Rb2Se5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) / materials id 989561
Description/Abstract:
Ab-initio phonon calculation for NaTl2GaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
NaTl2GaF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) / materials id 23996
Description/Abstract:
Ab-initio phonon calculation for BeH8SO8 / I-4c2 (120) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
BeH8SO8
,
I-4c2 (120)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SbIrS / P2_13 (198) / materials id 8630
Description/Abstract:
Ab-initio phonon calculation for SbIrS / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_13 (198)
,
Phonon
, and
SbIrS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) / materials id 14588
Description/Abstract:
Ab-initio phonon calculation for Na2PtSe2 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cmc2_1 (36)
,
Na2PtSe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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10,144
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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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10,145
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Koichi Sakamoto
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Masashi Ishii
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SUMIYA, Masatomo
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