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Atsushi Togo
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Ab-initio phonon calculation for K2Pb(SO4)2 / R-3m (166) / materials id 21099
Ab-initio phonon calculation for AsH6NO4 / I-42d (122) / materials id 703470
Ab-initio phonon calculation for Rb6Si10O23 / P-62m (189) / materials id 561189
Ab-initio phonon calculation for Na4HgP2 / R-3m (166) / materials id 28591
Ab-initio phonon calculation for Sm(HO)3 / P2_1/m (11) / materials id 625409
Ab-initio phonon calculation for YAg3(PS4)2 / C2/c (15) / materials id 561467
Ab-initio phonon calculation for KCrP2S7 / C2 (5) / materials id 7147
Ab-initio phonon calculation for In2Si2O7 / C2/m (12) / materials id 2874
Ab-initio phonon calculation for Na2Sr(PO3)4 / P4/nbm (125) / materials id 540951
Ab-initio phonon calculation for Nd4Te3N2 / Pnma (62) / materials id 570646
Ab-initio phonon calculation for Cs2RbTlF6 / Fm-3m (225) / materials id 989567
Ab-initio phonon calculation for Ca5P8 / C2/m (12) / materials id 28879
Ab-initio phonon calculation for Ba4Sn3O10 / Cmce (64) / materials id 772086
Ab-initio phonon calculation for Cs2U(Br2O)2 / P2_1/c (14) / materials id 572551
Ab-initio phonon calculation for Nd2Si2O7 / P2_12_12_1 (19) / materials id 556771
Ab-initio phonon calculation for Sm3Si6N11 / P4bm (100) / materials id 16995
Ab-initio phonon calculation for RbClO4 / F-43m (216) / materials id 550759
Ab-initio phonon calculation for K2Mg2O3 / P2_1/c (14) / materials id 753662
Ab-initio phonon calculation for LiBiF4 / I4_1/a (88) / materials id 28567
Ab-initio phonon calculation for Na3Mg2P5O16 / P2/c (13) / materials id 555005
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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)
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NIMS
10,137
IOP Publishing
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The Physical Society of Japan
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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
2
Hiroyuki Hayashi
1
Laurent Chaput
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MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1