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Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) / materials id 684638
Description/Abstract:
Ab-initio phonon calculation for Al2S3 / I4_1/amd (141) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Al2S3
,
I4_1/amd (141)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) / materials id 16137
Description/Abstract:
Ab-initio phonon calculation for K4CaU3O12 / Im-3m (229) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Im-3m (229)
,
K4CaU3O12
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsCdBr3 / P6_3/mmc (194) / materials id 541899
Description/Abstract:
Ab-initio phonon calculation for CsCdBr3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsCdBr3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K3Bi5(PO4)6 / C2/c (15) / materials id 565692
Description/Abstract:
Ab-initio phonon calculation for K3Bi5(PO4)6 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C2/c (15)
,
K3Bi5(PO4)6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) / materials id 13055
Description/Abstract:
Ab-initio phonon calculation for Ba2LaTaO6 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2LaTaO6
,
C2/m (12)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaNbO2 / P6_3/mmc (194) / materials id 3744
Description/Abstract:
Ab-initio phonon calculation for NaNbO2 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaNbO2
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) / materials id 567371
Description/Abstract:
Ab-initio phonon calculation for Sr3Li4(GeN3)2 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C2/m (12)
,
Phonon
, and
Sr3Li4(GeN3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaHSeO4 / P2_1/c (14) / materials id 644302
Description/Abstract:
Ab-initio phonon calculation for NaHSeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
NaHSeO4
,
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 LiTiAsO5 / Pnma (62) / materials id 6113
Description/Abstract:
Ab-initio phonon calculation for LiTiAsO5 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiTiAsO5
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaZn2HSe2O7 / Pnma (62) / materials id 758168
Description/Abstract:
Ab-initio phonon calculation for NaZn2HSe2O7 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
NaZn2HSe2O7
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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Dataset
10,137
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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)
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Pnma (62)
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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
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10,034
simulations
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
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10,137
phonopy
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10,137
phono3py
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