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961.
Ab-initio phonon calculation for Tm2Ti2O7 / Fd-3m (227) / materials id 38418
Description/Abstract:
Ab-initio phonon calculation for Tm2Ti2O7 / Fd-3m (227) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fd-3m (227)
,
Phonon
, and
Tm2Ti2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
962.
Ab-initio phonon calculation for Na3LiBe2F8 / P2_1/c (14) / materials id 556906
Description/Abstract:
Ab-initio phonon calculation for Na3LiBe2F8 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3LiBe2F8
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
963.
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
964.
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
965.
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
966.
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
967.
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
968.
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
969.
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
970.
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
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10,144
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
PoLyInfo Knowledge Collection
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The history of DICE and NIMS Digital Library
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Phonon
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10,145
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10,145
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10,145
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10,034
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spectroscopy -- x-ray photoelectron spectroscopy
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Atsushi Togo
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Koichi Sakamoto
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Masashi Ishii
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SUMIYA, Masatomo
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Akira Suzuki
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10,034
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VASP
10,137
phonopy
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spglib
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phono3py
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