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Ab-initio phonon calculation for TeI / C2/m (12) / materials id 569766
Description/Abstract:
Ab-initio phonon calculation for TeI / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw...
Keyword:
C2/m (12)
,
Phonon
, and
TeI
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaS / Fm-3m (225) / materials id 1672
Description/Abstract:
Ab-initio phonon calculation for CaS / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
CaS
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ho3ReO8 / P2_1/c (14) / materials id 769345
Description/Abstract:
Ab-initio phonon calculation for Ho3ReO8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ho3ReO8
,
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 Sr3BCNCl2 / Pnma (62) / materials id 616577
Description/Abstract:
Ab-initio phonon calculation for Sr3BCNCl2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Phonon
,
Pnma (62)
, and
Sr3BCNCl2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CuBi(PSe3)2 / P-31c (163) / materials id 569715
Description/Abstract:
Ab-initio phonon calculation for CuBi(PSe3)2 / P-31c (163) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
CuBi(PSe3)2
,
P-31c (163)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) / materials id 771238
Description/Abstract:
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2/c (13)
,
Phonon
, and
Y2TeO6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na5InS4 / P2_1/m (11) / materials id 29376
Description/Abstract:
Ab-initio phonon calculation for Na5InS4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na5InS4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na2La2Ti3O10 / I4/mmm (139) / materials id 6144
Description/Abstract:
Ab-initio phonon calculation for Na2La2Ti3O10 / I4/mmm (139) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
I4/mmm (139)
,
Na2La2Ti3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaI(OF)2 / Cmcm (63) / materials id 554948
Description/Abstract:
Ab-initio phonon calculation for NaI(OF)2 / Cmcm (63) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Cmcm (63)
,
NaI(OF)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SiO2 / Cmmm (65) / materials id 560998
Description/Abstract:
Ab-initio phonon calculation for SiO2 / Cmmm (65) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Cmmm (65)
,
Phonon
, and
SiO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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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)
599
C2/m (12)
368
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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
[remove]
10,137
spglib
10,137
phono3py
103