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Ab-initio phonon calculation for BaBiBO4 / Pnma (62) / materials id 559186
Ab-initio phonon calculation for Tl2SiF6 / Fm-3m (225) / materials id 5033
Ab-initio phonon calculation for PPdS / Pbcn (60) / materials id 7280
Ab-initio phonon calculation for ZnF2 / P4_2/mnm (136) / materials id 1873
Ab-initio phonon calculation for Al2SiO5 / Pnnm (58) / materials id 4753
Ab-initio phonon calculation for NdP5O14 / Pmna (53) / materials id 560681
Ab-initio phonon calculation for Ba3(GaS3)2 / C2/c (15) / materials id 29302
Ab-initio phonon calculation for Dy2TiO5 / Pnma (62) / materials id 771165
Ab-initio phonon calculation for KHS / R3m (160) / materials id 38011
Ab-initio phonon calculation for Bi2Te4O11 / P2_1/c (14) / materials id 28990
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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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10,137
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
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MEXT
10,034
Software
VASP
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10,137
phonopy
10,137
spglib
10,137
phono3py
103