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Phonon
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5031.
Ab-initio phonon calculation for Sr5Ta4O15 / P-3c1 (165) / materials id 769582
Description/Abstract:
Ab-initio phonon calculation for Sr5Ta4O15 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-3c1 (165)
,
Phonon
, and
Sr5Ta4O15
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5032.
Ab-initio phonon calculation for Ba4LaGe3SbSe13 / P2_1/c (14) / materials id 683936
Description/Abstract:
Ab-initio phonon calculation for Ba4LaGe3SbSe13 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, a...
Keyword:
Ba4LaGe3SbSe13
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5033.
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570552
Description/Abstract:
Ab-initio phonon calculation for CdI2 / P3m1 (156) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CdI2
,
P3m1 (156)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5034.
Ab-initio phonon calculation for SmSnF7 / P2_1/c (14) / materials id 17418
Description/Abstract:
Ab-initio phonon calculation for SmSnF7 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
SmSnF7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5035.
Ab-initio phonon calculation for ErClO / Pmmn (59) / materials id 755689
Description/Abstract:
Ab-initio phonon calculation for ErClO / Pmmn (59) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
ErClO
,
Phonon
, and
Pmmn (59)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5036.
Ab-initio phonon calculation for Y2SiO5 / P2_1/c (14) / materials id 554420
Description/Abstract:
Ab-initio phonon calculation for Y2SiO5 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/c (14)
,
Phonon
, and
Y2SiO5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5037.
Ab-initio phonon calculation for SrLiNb2O6F / I-4m2 (119) / materials id 753719
Description/Abstract:
Ab-initio phonon calculation for SrLiNb2O6F / I-4m2 (119) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
I-4m2 (119)
,
Phonon
, and
SrLiNb2O6F
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5038.
Ab-initio phonon calculation for Ba2TiO4 / P2_1/c (14) / materials id 3397
Description/Abstract:
Ab-initio phonon calculation for Ba2TiO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2TiO4
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5039.
Ab-initio phonon calculation for SrCa2I6 / P-31m (162) / materials id 754517
Description/Abstract:
Ab-initio phonon calculation for SrCa2I6 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P-31m (162)
,
Phonon
, and
SrCa2I6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
5040.
Ab-initio phonon calculation for NaErGeO4 / Pnma (62) / materials id 17487
Description/Abstract:
Ab-initio phonon calculation for NaErGeO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
NaErGeO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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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
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
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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
10,137
spglib
10,137
phono3py
103