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Atsushi Togo
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Ab-initio phonon calculation for TeO3 / R-3c (167) / materials id 2552
Ab-initio phonon calculation for Ag2GeS3 / Cmc2_1 (36) / materials id 9900
Ab-initio phonon calculation for Te3As2 / R-3m (166) / materials id 9897
Ab-initio phonon calculation for Ag5BiO4 / P2_1/c (14) / materials id 28812
Ab-initio phonon calculation for Cs3BAs2 / C2/c (15) / materials id 573658
Ab-initio phonon calculation for Ba5Si(Br3O2)2 / C2/c (15) / materials id 553884
Ab-initio phonon calculation for Sb5IO7 / P-62c (190) / materials id 28485
Ab-initio phonon calculation for RbCaCO3F / P-62m (189) / materials id 867757
Ab-initio phonon calculation for Tl4SnS4 / P2_1/c (14) / materials id 5818
Ab-initio phonon calculation for Sr4GeP4 / P-43n (218) / materials id 14213
Ab-initio phonon calculation for Cs2Te13 / Pbcm (57) / materials id 505464
Ab-initio phonon calculation for Sr2LiIn(B2O5)2 / P2_1/c (14) / materials id 14854
Ab-initio phonon calculation for CsEr(NbBr3)6 / P-31c (163) / materials id 569903
Ab-initio phonon calculation for CuAg3S2 / I4_1/a (88) / materials id 644883
Ab-initio phonon calculation for LaBrO / P4/nmm (129) / materials id 23023
Ab-initio phonon calculation for Cd2AsCl2 / P2_1/c (14) / materials id 27776
Ab-initio phonon calculation for Sr5U3O14 / Pbca (61) / materials id 29743
Ab-initio phonon calculation for Mg3B7ClO13 / Pca2_1 (29) / materials id 23087
Ab-initio phonon calculation for KRb2BiF6 / Fm-3m (225) / materials id 554941
Ab-initio phonon calculation for K3Nb3(BO6)2 / Pmc2_1 (26) / materials id 557711
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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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English
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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