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Ab-initio phonon calculation for KZnP / P6_3/mmc (194) / materials id 7437
Description/Abstract:
Ab-initio phonon calculation for KZnP / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KZnP
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
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
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
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
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
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
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
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
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
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
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Type of work
Dataset
10,137
Publication
3
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)
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C2/c (15)
599
C2/m (12)
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10,137
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10,137
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10,140
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Creative Commons BY Attribution 4.0 International
10,140
Data origin
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10,034
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Author
Atsushi Togo
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10,140
Isao Tanaka
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Terumasa Tadano
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Hiroyuki Hayashi
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Laurent Chaput
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1