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phonopy
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Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570410
Ab-initio phonon calculation for SbO2 / Pnna (52) / materials id 560098
Ab-initio phonon calculation for Cs2HgI4 / P2_1 (4) / materials id 567594
Ab-initio phonon calculation for GaCuI4 / I-4 (82) / materials id 29403
Ab-initio phonon calculation for Be4TeO7 / F-43m (216) / materials id 27608
Ab-initio phonon calculation for HoIO / P4/nmm (129) / materials id 753173
Ab-initio phonon calculation for CsAuF4 / Immm (71) / materials id 572767
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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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open
10,137
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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