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Ab-initio phonon calculation for AsH6NO4 / I-42d (122) / materials id 703470
Description/Abstract:
Ab-initio phonon calculation for AsH6NO4 / I-42d (122) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
AsH6NO4
,
I-42d (122)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb6Si10O23 / P-62m (189) / materials id 561189
Description/Abstract:
Ab-initio phonon calculation for Rb6Si10O23 / P-62m (189) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P-62m (189)
,
Phonon
, and
Rb6Si10O23
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na4HgP2 / R-3m (166) / materials id 28591
Description/Abstract:
Ab-initio phonon calculation for Na4HgP2 / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Na4HgP2
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Sm(HO)3 / P2_1/m (11) / materials id 625409
Description/Abstract:
Ab-initio phonon calculation for Sm(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sm(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YAg3(PS4)2 / C2/c (15) / materials id 561467
Description/Abstract:
Ab-initio phonon calculation for YAg3(PS4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C2/c (15)
,
Phonon
, and
YAg3(PS4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KCrP2S7 / C2 (5) / materials id 7147
Description/Abstract:
Ab-initio phonon calculation for KCrP2S7 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2 (5)
,
KCrP2S7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for In2Si2O7 / C2/m (12) / materials id 2874
Description/Abstract:
Ab-initio phonon calculation for In2Si2O7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
In2Si2O7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2Sr(PO3)4 / P4/nbm (125) / materials id 540951
Description/Abstract:
Ab-initio phonon calculation for Na2Sr(PO3)4 / P4/nbm (125) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Na2Sr(PO3)4
,
P4/nbm (125)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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
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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)
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NIMS
10,137
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10,137
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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
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10,137
spglib
10,137
phono3py
103