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phonopy
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Ab-initio phonon calculation for In2(PS3)3 / P2_1/c (14) / materials id 27753
Ab-initio phonon calculation for Ba(GaSe2)2 / Cccm (66) / materials id 7841
Ab-initio phonon calculation for Sr4Cu2O7 / P2_1/c (14) / materials id 766217
Ab-initio phonon calculation for Sr2C(NCl)2 / C2/m (12) / materials id 567655
Ab-initio phonon calculation for ScSbPt / F-43m (216) / materials id 7173
Ab-initio phonon calculation for SbHO3 / I4_1/amd (141) / materials id 626182
Ab-initio phonon calculation for Ba2YTaO6 / I4/m (87) / materials id 12385
Ab-initio phonon calculation for TlPb2Cl5 / P2_1/c (14) / materials id 27283
Ab-initio phonon calculation for NbTlBr4O / C2 (5) / materials id 551826
Ab-initio phonon calculation for Hg3(ClO)2 / P2_1/c (14) / materials id 22999
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,137
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Dataset
10,137
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10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
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10,137
spglib
10,137
phono3py
103