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Atsushi Togo
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Ab-initio phonon calculation for Ti3(BiO3)4 / Cc (9) / materials id 558277
Ab-initio phonon calculation for K2PbO3 / Pnma (62) / materials id 504935
Ab-initio phonon calculation for HfO2 / P2_1/c (14) / materials id 352
Ab-initio phonon calculation for Sr5Ta4O15 / P-3m1 (164) / materials id 769297
Ab-initio phonon calculation for Na10Zn4O9 / C2 (5) / materials id 36165
Ab-initio phonon calculation for GeS2 / I-42d (122) / materials id 7582
Ab-initio phonon calculation for GaCl3 / C2/m (12) / materials id 30952
Ab-initio phonon calculation for Ba3Ti2O7 / Fmm2 (42) / materials id 770118
Ab-initio phonon calculation for KGe2BO6 / P2_12_12_1 (19) / materials id 556463
Ab-initio phonon calculation for BaCa2I6 / Pc (7) / materials id 753460
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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
3
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NIMS
10,137
IOP Publishing
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The Physical Society of Japan
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10,137
Article
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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