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Ab-initio phonon calculation for Ba4Nd2Cd3Se10 / Cmc2_1 (36) / materials id 10409
Description/Abstract:
Ab-initio phonon calculation for Ba4Nd2Cd3Se10 / Cmc2_1 (36) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
Ba4Nd2Cd3Se10
,
Cmc2_1 (36)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Y(AlCl4)3 / P3_112 (151) / materials id 570857
Description/Abstract:
Ab-initio phonon calculation for Y(AlCl4)3 / P3_112 (151) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P3_112 (151)
,
Phonon
, and
Y(AlCl4)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Mg14Ge5O24 / Pbam (55) / materials id 27295
Description/Abstract:
Ab-initio phonon calculation for Mg14Ge5O24 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Mg14Ge5O24
,
Pbam (55)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl3PbBr5 / P2_12_12_1 (19) / materials id 27451
Description/Abstract:
Ab-initio phonon calculation for Tl3PbBr5 / P2_12_12_1 (19) Phonon band structure, phonon DOS, thermal properties at constant volume, and...
Keyword:
P2_12_12_1 (19)
,
Phonon
, and
Tl3PbBr5
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for La(BO2)3 / P2_1/c (14) / materials id 561154
Description/Abstract:
Ab-initio phonon calculation for La(BO2)3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
La(BO2)3
,
P2_1/c (14)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Tl2Sn2S5 / C2/c (15) / materials id 7499
Description/Abstract:
Ab-initio phonon calculation for Tl2Sn2S5 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Phonon
, and
Tl2Sn2S5
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 Ta2Pt3S8 / Pbam (55) / materials id 560046
Description/Abstract:
Ab-initio phonon calculation for Ta2Pt3S8 / Pbam (55) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
Pbam (55)
,
Phonon
, and
Ta2Pt3S8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) / materials id 541707
Description/Abstract:
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, an...
Keyword:
K6Na3AlSb4
,
P6_3/mmc (194)
, and
Phonon
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
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10,137
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
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C2/c (15)
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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10,034
simulations
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Author
Atsushi Togo
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10,137
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MEXT
10,034
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VASP
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10,137
phonopy
10,137
spglib
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10,137
phono3py
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