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Ab-initio phonon calculation for TlCl / Fm-3m (225) / materials id 569639
Description/Abstract:
Ab-initio phonon calculation for TlCl / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
TlCl
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) / materials id 24227
Description/Abstract:
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fm-3m (225)
,
H8Pt(NCl3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2LiNF6 / Fm-3m (225) / materials id 989504
Description/Abstract:
Ab-initio phonon calculation for Na2LiNF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Na2LiNF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) / materials id 15317
Description/Abstract:
Ab-initio phonon calculation for Rb2NaHoF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaHoF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) / materials id 989567
Description/Abstract:
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs2RbTlF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KRb2BiF6 / Fm-3m (225) / materials id 554941
Description/Abstract:
Ab-initio phonon calculation for KRb2BiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
KRb2BiF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ar / Fm-3m (225) / materials id 23155
Description/Abstract:
Ab-initio phonon calculation for Ar / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Ar
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for YbS / Fm-3m (225) / materials id 1820
Description/Abstract:
Ab-initio phonon calculation for YbS / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
Phonon
, and
YbS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) / materials id 27839
Description/Abstract:
Ab-initio phonon calculation for K2TiCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
K2TiCl6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Be2C / Fm-3m (225) / materials id 1569
Description/Abstract:
Ab-initio phonon calculation for Be2C / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Be2C
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaGaH8(NF3)2 / Fm-3m (225) / materials id 865095
Description/Abstract:
Ab-initio phonon calculation for NaGaH8(NF3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Fm-3m (225)
,
NaGaH8(NF3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NbAlFe2 / Fm-3m (225) / materials id 865280
Description/Abstract:
Ab-initio phonon calculation for NbAlFe2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
NbAlFe2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2NaInCl6 / Fm-3m (225) / materials id 989571
Description/Abstract:
Ab-initio phonon calculation for Cs2NaInCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2NaInCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2NaNF6 / Fm-3m (225) / materials id 989527
Description/Abstract:
Ab-initio phonon calculation for Cs2NaNF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2NaNF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaTlF6 / Fm-3m (225) / materials id 989548
Description/Abstract:
Ab-initio phonon calculation for Rb2NaTlF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaTlF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2O / Fm-3m (225) / materials id 1394
Description/Abstract:
Ab-initio phonon calculation for Rb2O / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2O
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for CsBr / Fm-3m (225) / materials id 571222
Description/Abstract:
Ab-initio phonon calculation for CsBr / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
CsBr
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2InGaF6 / Fm-3m (225) / materials id 989566
Description/Abstract:
Ab-initio phonon calculation for Rb2InGaF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2InGaF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2AsAu / Fm-3m (225) / materials id 861937
Description/Abstract:
Ab-initio phonon calculation for Ba2AsAu / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Ba2AsAu
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2CaSnCl6 / Fm-3m (225) / materials id 989570
Description/Abstract:
Ab-initio phonon calculation for Cs2CaSnCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2CaSnCl6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2RbBiF6 / Fm-3m (225) / materials id 559695
Description/Abstract:
Ab-initio phonon calculation for Cs2RbBiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Cs2RbBiF6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaO / Fm-3m (225) / materials id 1342
Description/Abstract:
Ab-initio phonon calculation for BaO / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
BaO
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2LiInBr6 / Fm-3m (225) / materials id 989405
Description/Abstract:
Ab-initio phonon calculation for Cs2LiInBr6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Cs2LiInBr6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaInF6 / Fm-3m (225) / materials id 989578
Description/Abstract:
Ab-initio phonon calculation for Rb2NaInF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaInF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2ZnFe(CN)6 / Fm-3m (225) / materials id 570545
Description/Abstract:
Ab-initio phonon calculation for Cs2ZnFe(CN)6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs2ZnFe(CN)6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KH / Fm-3m (225) / materials id 24084
Description/Abstract:
Ab-initio phonon calculation for KH / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ra...
Keyword:
Fm-3m (225)
,
KH
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TiFe2Si / Fm-3m (225) / materials id 866141
Description/Abstract:
Ab-initio phonon calculation for TiFe2Si / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
TiFe2Si
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na2H6Pt / Fm-3m (225) / materials id 690785
Description/Abstract:
Ab-initio phonon calculation for Na2H6Pt / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Na2H6Pt
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2LiReO6 / Fm-3m (225) / materials id 6270
Description/Abstract:
Ab-initio phonon calculation for Ba2LiReO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2LiReO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaH / Fm-3m (225) / materials id 23870
Description/Abstract:
Ab-initio phonon calculation for NaH / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon r...
Keyword:
Fm-3m (225)
,
NaH
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2SnBr6 / Fm-3m (225) / materials id 641923
Description/Abstract:
Ab-initio phonon calculation for Cs2SnBr6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cs2SnBr6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for ScTa(PbO3)2 / Fm-3m (225) / materials id 550579
Description/Abstract:
Ab-initio phonon calculation for ScTa(PbO3)2 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Fm-3m (225)
,
Phonon
, and
ScTa(PbO3)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for TbCs3F6 / Fm-3m (225) / materials id 696965
Description/Abstract:
Ab-initio phonon calculation for TbCs3F6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
TbCs3F6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2SeCl6 / Fm-3m (225) / materials id 27829
Description/Abstract:
Ab-initio phonon calculation for Rb2SeCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2SeCl6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for NaSbF6 / Fm-3m (225) / materials id 5955
Description/Abstract:
Ab-initio phonon calculation for NaSbF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Fm-3m (225)
,
NaSbF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for KRb2ScF6 / Fm-3m (225) / materials id 9349
Description/Abstract:
Ab-initio phonon calculation for KRb2ScF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
KRb2ScF6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for In6Ge2PtO9 / Fm-3m (225) / materials id 22186
Description/Abstract:
Ab-initio phonon calculation for In6Ge2PtO9 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fm-3m (225)
,
In6Ge2PtO9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2LuNbO6 / Fm-3m (225) / materials id 12644
Description/Abstract:
Ab-initio phonon calculation for Ba2LuNbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2LuNbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2LiDyBr6 / Fm-3m (225) / materials id 567628
Description/Abstract:
Ab-initio phonon calculation for Rb2LiDyBr6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2LiDyBr6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2PrSbO6 / Fm-3m (225) / materials id 10731
Description/Abstract:
Ab-initio phonon calculation for Ba2PrSbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2PrSbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Rb2NaBiF6 / Fm-3m (225) / materials id 560037
Description/Abstract:
Ab-initio phonon calculation for Rb2NaBiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2NaBiF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg2FeH6 / Fm-3m (225) / materials id 23804
Description/Abstract:
Ab-initio phonon calculation for Mg2FeH6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Mg2FeH6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Te / Fm-3m (225) / materials id 1747
Description/Abstract:
Ab-initio phonon calculation for K2Te / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Fm-3m (225)
,
K2Te
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2DySbO6 / Fm-3m (225) / materials id 6192
Description/Abstract:
Ab-initio phonon calculation for Ba2DySbO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Ba2DySbO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Cs2PtI6 / Fm-3m (225) / materials id 23060
Description/Abstract:
Ab-initio phonon calculation for Cs2PtI6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs2PtI6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Ba2YTaO6 / Fm-3m (225) / materials id 6613
Description/Abstract:
Ab-initio phonon calculation for Ba2YTaO6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2YTaO6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Na6S2ClO8F / Fm-3m (225) / materials id 23657
Description/Abstract:
Ab-initio phonon calculation for Na6S2ClO8F / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Fm-3m (225)
,
Na6S2ClO8F
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Cs2LiIr(CN)6 / Fm-3m (225) / materials id 574653
Description/Abstract:
Ab-initio phonon calculation for Cs2LiIr(CN)6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
Cs2LiIr(CN)6
,
Fm-3m (225)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb2SiF6 / Fm-3m (225) / materials id 10492
Description/Abstract:
Ab-initio phonon calculation for Rb2SiF6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2SiF6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
Ab-initio phonon calculation for Rb2PdCl6 / Fm-3m (225) / materials id 28145
Description/Abstract:
Ab-initio phonon calculation for Rb2PdCl6 / Fm-3m (225) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Fm-3m (225)
,
Phonon
, and
Rb2PdCl6
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
16/05/2023
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332
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MDR phonon calculation database
332
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Fm-3m (225)
[remove]
332
Phonon
332
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2
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1
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332
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332
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332
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332
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Atsushi Togo
332
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332
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VASP
332
phonopy
332
spglib
332