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Ab-initio phonon calculation for Li2CdSiO4 / Pnma (62) / materials id 557293
Description/Abstract:
Ab-initio phonon calculation for Li2CdSiO4 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li2CdSiO4
,
Phonon
, and
Pnma (62)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Bi24Cl10O31 / P2/c (13) / materials id 560085
Description/Abstract:
Ab-initio phonon calculation for Bi24Cl10O31 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Bi24Cl10O31
,
P2/c (13)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SrLi2Ti6O14 / Cmce (64) / materials id 16691
Description/Abstract:
Ab-initio phonon calculation for SrLi2Ti6O14 / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cmce (64)
,
Phonon
, and
SrLi2Ti6O14
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for FeP4 / C2/c (15) / materials id 570553
Description/Abstract:
Ab-initio phonon calculation for FeP4 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
C2/c (15)
,
FeP4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca2BrN / R-3m (166) / materials id 23009
Description/Abstract:
Ab-initio phonon calculation for Ca2BrN / R-3m (166) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Ca2BrN
,
Phonon
, and
R-3m (166)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Ca3TiBe2Si2(As3O10)2 / P-3c1 (165) / materials id 558370
Description/Abstract:
Ab-initio phonon calculation for Ca3TiBe2Si2(As3O10)2 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant vol...
Keyword:
Ca3TiBe2Si2(As3O10)2
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Cs2SeCl6 / Fm-3m (225) / materials id 27830
Description/Abstract:
Ab-initio phonon calculation for Cs2SeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2SeCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SnF4 / I4/mmm (139) / materials id 2706
Description/Abstract:
Ab-initio phonon calculation for SnF4 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I4/mmm (139)
,
Phonon
, and
SnF4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for Rh2S3 / R-3c (167) / materials id 974381
Description/Abstract:
Ab-initio phonon calculation for Rh2S3 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Phonon
,
R-3c (167)
, and
Rh2S3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
22/05/2023
Ab-initio phonon calculation for SiO2 / P6_422 (181) / materials id 10851
Description/Abstract:
Ab-initio phonon calculation for SiO2 / P6_422 (181) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P6_422 (181)
,
Phonon
, and
SiO2
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
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
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C2/m (12)
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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
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
103