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Atsushi Togo
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Ab-initio phonon calculation for Cs3Zr7BCl20 / R-3c (167) / materials id 567781
Ab-initio phonon calculation for Hg3SbAsS3 / P2_1/c (14) / materials id 554950
Ab-initio phonon calculation for K5SnAs3 / P2_1/c (14) / materials id 16989
Ab-initio phonon calculation for CsAuSe3 / C2/c (15) / materials id 567913
Ab-initio phonon calculation for CsAs4F13 / I-4 (82) / materials id 30927
Ab-initio phonon calculation for Nd2TeO2 / I4/mmm (139) / materials id 5459
Ab-initio phonon calculation for Li8TiS6 / P6_3cm (185) / materials id 753546
Ab-initio phonon calculation for K2Hg2SCl4O3 / P2_1/m (11) / materials id 559061
Ab-initio phonon calculation for PHN2 / P2_12_12_1 (19) / materials id 697139
Ab-initio phonon calculation for Ba(SbSe2)2 / P2_1/c (14) / materials id 4727
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Type of work
Dataset
10,137
Publication
3
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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English
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NIMS
10,137
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10,137
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10,140
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,140
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
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10,140
Isao Tanaka
2
Terumasa Tadano
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Hiroyuki Hayashi
1
Laurent Chaput
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1