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Ab-initio phonon calculation for KI(OF)2 / Pca2_1 (29) / materials id 558861
Description/Abstract:
Ab-initio phonon calculation for KI(OF)2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
KI(OF)2
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd3PO7 / C2/m (12) / materials id 29094
Description/Abstract:
Ab-initio phonon calculation for Nd3PO7 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
C2/m (12)
,
Nd3PO7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sc(HO)3 / R-3 (148) / materials id 626194
Description/Abstract:
Ab-initio phonon calculation for Sc(HO)3 / R-3 (148) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Phonon
,
R-3 (148)
, and
Sc(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for SrMg2FeH8 / P-3m1 (164) / materials id 643004
Description/Abstract:
Ab-initio phonon calculation for SrMg2FeH8 / P-3m1 (164) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
P-3m1 (164)
,
Phonon
, and
SrMg2FeH8
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Nd5AgSe8 / I-4 (82) / materials id 36592
Description/Abstract:
Ab-initio phonon calculation for Nd5AgSe8 / I-4 (82) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
I-4 (82)
,
Nd5AgSe8
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl3SbSe3 / P2_13 (198) / materials id 4876
Description/Abstract:
Ab-initio phonon calculation for Tl3SbSe3 / P2_13 (198) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
P2_13 (198)
,
Phonon
, and
Tl3SbSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaSr3NbO6 / R-3c (167) / materials id 6361
Description/Abstract:
Ab-initio phonon calculation for NaSr3NbO6 / R-3c (167) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
NaSr3NbO6
,
Phonon
, and
R-3c (167)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Li5LaO4 / P4_2/nmc (137) / materials id 780259
Description/Abstract:
Ab-initio phonon calculation for Li5LaO4 / P4_2/nmc (137) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Li5LaO4
,
P4_2/nmc (137)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg(GaO2)2 / Imma (74) / materials id 38951
Description/Abstract:
Ab-initio phonon calculation for Mg(GaO2)2 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Imma (74)
,
Mg(GaO2)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LiLaTiO4 / P4/nmm (129) / materials id 6521
Description/Abstract:
Ab-initio phonon calculation for LiLaTiO4 / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
LiLaTiO4
,
P4/nmm (129)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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