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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
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) / materials id 14951
Description/Abstract:
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C2/m (12)
,
Phonon
, and
Rb3AlO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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 SrSi2(BO4)2 / Pnma (62) / materials id 6032
Description/Abstract:
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Phonon
,
Pnma (62)
, and
SrSi2(BO4)2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Description/Abstract:
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
MgTi2(PO5)2
,
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 In2GaBiS6 / P2_1/m (11) / materials id 556231
Description/Abstract:
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
In2GaBiS6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) / materials id 557529
Description/Abstract:
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/c (15)
,
Na5P3O10
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) / materials id 762279
Description/Abstract:
Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C2/m (12)
,
K2Ti8O17
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) / materials id 531820
Description/Abstract:
Ab-initio phonon calculation for Li4Ti7O16 / Pnnm (58) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Li4Ti7O16
,
Phonon
, and
Pnnm (58)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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10,034
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MDR phonon calculation database
10,034
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10,034
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Atsushi Togo
10,034
Hiori Kino
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10,034
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Science and Technology of Advanced Materials: Methods
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