Skip to Content
Toggle navigation
Home
About
Help
Contact
Login
Search MDR
Go
Search Constraints
Start Over
Filtering by:
Software
phonopy
Remove constraint Software: phonopy
Type of work
Dataset
Remove constraint Type of work: Dataset
« Previous
|
991
-
1,000
of
10,137
|
Next »
Sort by relevance
relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲
Number of results to display per page
10 per page
10
per page
20
per page
50
per page
100
per page
View results as:
List
Gallery
Masonry
Slideshow
Search Results
991.
Ab-initio phonon calculation for Cs3LiF4 / C2/m (12) / materials id 559766
Description/Abstract:
Ab-initio phonon calculation for Cs3LiF4 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Cs3LiF4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
992.
Ab-initio phonon calculation for Pr2C(NO)2 / P-3m1 (164) / materials id 9497
Description/Abstract:
Ab-initio phonon calculation for Pr2C(NO)2 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-3m1 (164)
,
Phonon
, and
Pr2C(NO)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
993.
Ab-initio phonon calculation for PtI2 / P2_1/c (14) / materials id 28319
Description/Abstract:
Ab-initio phonon calculation for PtI2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/c (14)
,
Phonon
, and
PtI2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
994.
Ab-initio phonon calculation for LiSmO2 / P2_1/c (14) / materials id 7800
Description/Abstract:
Ab-initio phonon calculation for LiSmO2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LiSmO2
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
995.
Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) / materials id 867129
Description/Abstract:
Ab-initio phonon calculation for RbZnH2Se2ClO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
P2/c (13)
,
Phonon
, and
RbZnH2Se2ClO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
996.
Ab-initio phonon calculation for KSeO2F / P2_1/m (11) / materials id 9205
Description/Abstract:
Ab-initio phonon calculation for KSeO2F / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KSeO2F
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
997.
Ab-initio phonon calculation for NaAlGeO4 / P2_1/c (14) / materials id 14511
Description/Abstract:
Ab-initio phonon calculation for NaAlGeO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaAlGeO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
998.
Ab-initio phonon calculation for CaBPO5 / P3_121 (152) / materials id 6667
Description/Abstract:
Ab-initio phonon calculation for CaBPO5 / P3_121 (152) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaBPO5
,
P3_121 (152)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
999.
Ab-initio phonon calculation for CaAl12O19 / P6_3/mmc (194) / materials id 28234
Description/Abstract:
Ab-initio phonon calculation for CaAl12O19 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
CaAl12O19
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
1000.
Ab-initio phonon calculation for Rb2SnO3 / Cmc2_1 (36) / materials id 753798
Description/Abstract:
Ab-initio phonon calculation for Rb2SnO3 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cmc2_1 (36)
,
Phonon
, and
Rb2SnO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
« Previous
Next »
1
2
…
96
97
98
99
100
101
102
103
104
…
1,013
1,014
Toggle facets
Limit your search
Type of work
Dataset
[remove]
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
more
Keywords
»
Publisher
NIMS
10,137
Resource type
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