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Ab-initio phonon calculation for LaF3 / P6_3/mmc (194) / materials id 8354
Description/Abstract:
Ab-initio phonon calculation for LaF3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LaF3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LaF3 / P6_3cm (185) / materials id 334
Description/Abstract:
Ab-initio phonon calculation for LaF3 / P6_3cm (185) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaF3
,
P6_3cm (185)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for LaF3 / P-3c1 (165) / materials id 905
Description/Abstract:
Ab-initio phonon calculation for LaF3 / P-3c1 (165) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
LaF3
,
P-3c1 (165)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
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MDR phonon calculation database
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LaF3
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Phonon
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P-3c1 (165)
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P6_3/mmc (194)
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P6_3cm (185)
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NIMS
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Creative Commons BY Attribution 4.0 International
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Atsushi Togo
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MEXT
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VASP
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phonopy
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spglib
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