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C222_1 (20)
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Ab-initio phonon calculation for La(PO3)3 / C222_1 (20) / materials id 9646
Description/Abstract:
Ab-initio phonon calculation for La(PO3)3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C222_1 (20)
,
La(PO3)3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KH8N3 / C222_1 (20) / materials id 974267
Description/Abstract:
Ab-initio phonon calculation for KH8N3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
C222_1 (20)
,
KH8N3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) / materials id 31416
Description/Abstract:
Ab-initio phonon calculation for Ho3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
C222_1 (20)
,
Ho3TaO7
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) / materials id 11321
Description/Abstract:
Ab-initio phonon calculation for Y3TaO7 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
C222_1 (20)
,
Phonon
, and
Y3TaO7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaTiO3 / C222_1 (20) / materials id 558125
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
C222_1 (20)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for GeClO2F5 / C222_1 (20) / materials id 557432
Description/Abstract:
Ab-initio phonon calculation for GeClO2F5 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C222_1 (20)
,
GeClO2F5
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Sr5B3ClO9 / C222_1 (20) / materials id 555203
Description/Abstract:
Ab-initio phonon calculation for Sr5B3ClO9 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C222_1 (20)
,
Phonon
, and
Sr5B3ClO9
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KCaAl2F9 / C222_1 (20) / materials id 557743
Description/Abstract:
Ab-initio phonon calculation for KCaAl2F9 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
C222_1 (20)
,
KCaAl2F9
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2Zn(GeO3)2 / C222_1 (20) / materials id 560398
Description/Abstract:
Ab-initio phonon calculation for K2Zn(GeO3)2 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
C222_1 (20)
,
K2Zn(GeO3)2
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for Rb2CdSiO4 / C222_1 (20) / materials id 558568
Description/Abstract:
Ab-initio phonon calculation for Rb2CdSiO4 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
C222_1 (20)
,
Phonon
, and
Rb2CdSiO4
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
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MDR phonon calculation database
36
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C222_1 (20)
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36
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36
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Atsushi Togo
36
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MEXT
36
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VASP
36
phonopy
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spglib
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