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phonopy
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TiO2
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Ab-initio phonon calculation for TiO2 / Pbca (61) / materials id 1840
Ab-initio phonon calculation for TiO2 / C2/m (12) / materials id 554278
Ab-initio phonon calculation for TiO2 / I4_1/amd (141) / materials id 390
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 1439
Ab-initio phonon calculation for TiO2 / Pbcn (60) / materials id 775938
Ab-initio phonon calculation for TiO2 / P4_2/mnm (136) / materials id 2657
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Type of work
Dataset
6
Collection
MDR phonon calculation database
6
Keyword
Phonon
6
TiO2
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6
Pbcn (60)
2
C2/m (12)
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I4_1/amd (141)
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NIMS
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Creative Commons BY Attribution 4.0 International
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Data origin
simulation
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Author
Atsushi Togo
6
Funder
MEXT
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Software
VASP
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phonopy
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spglib
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