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Ab-initio phonon calculation for Cs3Cu2I5 / Pnma (62) / materials id 23481
Description/Abstract:
Ab-initio phonon calculation for Cs3Cu2I5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cs3Cu2I5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for SrZn2(PO4)2 / P2_1/c (14) / materials id 8810
Description/Abstract:
Ab-initio phonon calculation for SrZn2(PO4)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2_1/c (14)
,
Phonon
, and
SrZn2(PO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Lu2Te4O11 / C2/c (15) / materials id 542676
Description/Abstract:
Ab-initio phonon calculation for Lu2Te4O11 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Lu2Te4O11
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for YAgTe2 / P-42_1m (113) / materials id 12903
Description/Abstract:
Ab-initio phonon calculation for YAgTe2 / P-42_1m (113) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P-42_1m (113)
,
Phonon
, and
YAgTe2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sm3SiCuSe7 / P6_3 (173) / materials id 570045
Description/Abstract:
Ab-initio phonon calculation for Sm3SiCuSe7 / P6_3 (173) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P6_3 (173)
,
Phonon
, and
Sm3SiCuSe7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for TiPN3 / C2/c (15) / materials id 989624
Description/Abstract:
Ab-initio phonon calculation for TiPN3 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2/c (15)
,
Phonon
, and
TiPN3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BaBSbS4 / Pnma (62) / materials id 866301
Description/Abstract:
Ab-initio phonon calculation for BaBSbS4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BaBSbS4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) / materials id 23004
Description/Abstract:
Ab-initio phonon calculation for CsMgCl3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsMgCl3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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
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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)
368
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NIMS
10,137
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Dataset
10,137
Visibility
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
[remove]
10,137
spglib
10,137
phono3py
103