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Pca2_1 (29)
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Ab-initio phonon calculation for SeOF2 / Pca2_1 (29) / materials id 27367
Description/Abstract:
Ab-initio phonon calculation for SeOF2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Pca2_1 (29)
,
Phonon
, and
SeOF2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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 Na2H2CO4 / Pca2_1 (29) / materials id 721312
Description/Abstract:
Ab-initio phonon calculation for Na2H2CO4 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2H2CO4
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2HI2ClO6 / Pca2_1 (29) / materials id 733853
Description/Abstract:
Ab-initio phonon calculation for K2HI2ClO6 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
K2HI2ClO6
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2As2S5 / Pca2_1 (29) / materials id 28134
Description/Abstract:
Ab-initio phonon calculation for Ba2As2S5 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2As2S5
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cd(IO3)2 / Pca2_1 (29) / materials id 556578
Description/Abstract:
Ab-initio phonon calculation for Cd(IO3)2 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Cd(IO3)2
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Ca3Al4ZnO10 / Pca2_1 (29) / materials id 557955
Description/Abstract:
Ab-initio phonon calculation for Ca3Al4ZnO10 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ca3Al4ZnO10
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
24/05/2023
Ab-initio phonon calculation for KGeNO / Pca2_1 (29) / materials id 6955
Description/Abstract:
Ab-initio phonon calculation for KGeNO / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KGeNO
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for Na2Si2O5 / Pca2_1 (29) / materials id 554856
Description/Abstract:
Ab-initio phonon calculation for Na2Si2O5 / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Na2Si2O5
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
Ab-initio phonon calculation for LaGaSe2O / Pca2_1 (29) / materials id 559594
Description/Abstract:
Ab-initio phonon calculation for LaGaSe2O / Pca2_1 (29) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
LaGaSe2O
,
Pca2_1 (29)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
23/05/2023
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30
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MDR phonon calculation database
30
Keyword
Pca2_1 (29)
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Phonon
30
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Ba2Zn(BO3)2
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30
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30
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Creative Commons BY Attribution 4.0 International
30
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simulation
30
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Atsushi Togo
30
Funder
MEXT
30
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VASP
30
phonopy
30
spglib
30