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phonopy
Remove constraint Software: phonopy
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I4/mmm (139)
Remove constraint Keyword: I4/mmm (139)
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Ab-initio phonon calculation for Na3PaF8 / I4/mmm (139) / materials id 27478
Ab-initio phonon calculation for SrC2 / I4/mmm (139) / materials id 2630
Ab-initio phonon calculation for K4Ru2Cl10O / I4/mmm (139) / materials id 560515
Ab-initio phonon calculation for Ca4As2O / I4/mmm (139) / materials id 8789
Ab-initio phonon calculation for RbCuO / I4/mmm (139) / materials id 7470
Ab-initio phonon calculation for Sr2SnO4 / I4/mmm (139) / materials id 3376
Ab-initio phonon calculation for Ba(CuS)2 / I4/mmm (139) / materials id 4255
Ab-initio phonon calculation for LaH3 / I4/mmm (139) / materials id 973064
Ab-initio phonon calculation for Na4I2O / I4/mmm (139) / materials id 22937
Ab-initio phonon calculation for Ba8Bi4H2O / I4/mmm (139) / materials id 865213
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Type of work
Dataset
146
Collection
MDR phonon calculation database
146
Keyword
I4/mmm (139)
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146
Phonon
146
SiO2
4
Ba(CuS)2
1
Ba2HfO4
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NIMS
146
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Creative Commons BY Attribution 4.0 International
146
Data origin
simulation
146
Author
Atsushi Togo
146
Funder
MEXT
146
Software
VASP
146
phonopy
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146
spglib
146