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Ab-initio phonon calculation for Hg3SbAsS3 / P2_1/c (14) / materials id 554950
Description/Abstract:
Ab-initio phonon calculation for Hg3SbAsS3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Hg3SbAsS3
,
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 K5SnAs3 / P2_1/c (14) / materials id 16989
Description/Abstract:
Ab-initio phonon calculation for K5SnAs3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K5SnAs3
,
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 CsAuSe3 / C2/c (15) / materials id 567913
Description/Abstract:
Ab-initio phonon calculation for CsAuSe3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/c (15)
,
CsAuSe3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsAs4F13 / I-4 (82) / materials id 30927
Description/Abstract:
Ab-initio phonon calculation for CsAs4F13 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
CsAs4F13
,
I-4 (82)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd2TeO2 / I4/mmm (139) / materials id 5459
Description/Abstract:
Ab-initio phonon calculation for Nd2TeO2 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
I4/mmm (139)
,
Nd2TeO2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li8TiS6 / P6_3cm (185) / materials id 753546
Description/Abstract:
Ab-initio phonon calculation for Li8TiS6 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Li8TiS6
,
P6_3cm (185)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Hg2SCl4O3 / P2_1/m (11) / materials id 559061
Description/Abstract:
Ab-initio phonon calculation for K2Hg2SCl4O3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K2Hg2SCl4O3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for PHN2 / P2_12_12_1 (19) / materials id 697139
Description/Abstract:
Ab-initio phonon calculation for PHN2 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_12_12_1 (19)
,
PHN2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba(SbSe2)2 / P2_1/c (14) / materials id 4727
Description/Abstract:
Ab-initio phonon calculation for Ba(SbSe2)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Ba(SbSe2)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 Cs4SiSe4 / P-43n (218) / materials id 29834
Description/Abstract:
Ab-initio phonon calculation for Cs4SiSe4 / P-43n (218) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs4SiSe4
,
P-43n (218)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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NIMS
10,137
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10,137
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open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
[remove]
10,137
phono3py
103