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Ab-initio phonon calculation for Zn3(PO4)2 / C2/c (15) / materials id 557920
Description/Abstract:
Ab-initio phonon calculation for Zn3(PO4)2 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C2/c (15)
,
Phonon
, and
Zn3(PO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaNbS2 / P6_3/mmc (194) / materials id 7937
Description/Abstract:
Ab-initio phonon calculation for NaNbS2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaNbS2
,
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 CaAl4Si2(HO6)2 / Cc (9) / materials id 24469
Description/Abstract:
Ab-initio phonon calculation for CaAl4Si2(HO6)2 / Cc (9) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CaAl4Si2(HO6)2
,
Cc (9)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for NaNdSiO4 / Pna2_1 (33) / materials id 13774
Description/Abstract:
Ab-initio phonon calculation for NaNdSiO4 / Pna2_1 (33) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaNdSiO4
,
Phonon
, and
Pna2_1 (33)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca(HO)2 / P2_1/c (14) / materials id 643392
Description/Abstract:
Ab-initio phonon calculation for Ca(HO)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ca(HO)2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for MgP4 / P2_1/c (14) / materials id 384
Description/Abstract:
Ab-initio phonon calculation for MgP4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
MgP4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Y15TmO24 / C2 (5) / materials id 757001
Description/Abstract:
Ab-initio phonon calculation for Y15TmO24 / C2 (5) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
C2 (5)
,
Phonon
, and
Y15TmO24
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LiH2BrO / Cmcm (63) / materials id 754153
Description/Abstract:
Ab-initio phonon calculation for LiH2BrO / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Cmcm (63)
,
LiH2BrO
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KNaLaNbO5 / P4/nmm (129) / materials id 10942
Description/Abstract:
Ab-initio phonon calculation for KNaLaNbO5 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
KNaLaNbO5
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) / materials id 570959
Description/Abstract:
Ab-initio phonon calculation for Dy2CdSe4 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Dy2CdSe4
,
Fd-3m (227)
, and
Phonon
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
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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
[remove]
10,137
spglib
10,137
phono3py
103