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Mg2TiO4
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Ab-initio phonon calculation for Mg2TiO4 / P4_122 (91) / materials id 757031
Description/Abstract:
Ab-initio phonon calculation for Mg2TiO4 / P4_122 (91) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Mg2TiO4
,
P4_122 (91)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Mg2TiO4 / Imma (74) / materials id 33297
Description/Abstract:
Ab-initio phonon calculation for Mg2TiO4 / Imma (74) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
Imma (74)
,
Mg2TiO4
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
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2
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MDR phonon calculation database
2
Keyword
Mg2TiO4
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Phonon
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Imma (74)
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P4_122 (91)
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NIMS
2
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Dataset
2
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open
2
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
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Data origin
simulation
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Author
Atsushi Togo
2
Funder
MEXT
2
Software
VASP
2
phonopy
2
spglib
2