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Atsushi Togo
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Ab-initio phonon calculation for NdAg(PO3)4 / P2_1/c (14) / materials id 541041
Ab-initio phonon calculation for MgUB2O7 / Pbcm (57) / materials id 557384
Ab-initio phonon calculation for Mg(AlSe2)2 / R-3m (166) / materials id 9479
Ab-initio phonon calculation for Ba(SbS2)2 / P2_1/c (14) / materials id 28129
Ab-initio phonon calculation for YOF / P4/nmm (129) / materials id 10219
Ab-initio phonon calculation for BaB4O7 / Pnma (62) / materials id 556974
Ab-initio phonon calculation for Sm2O3 / Ia-3 (206) / materials id 218
Ab-initio phonon calculation for SrAgB7O12 / C2/c (15) / materials id 554259
Ab-initio phonon calculation for Rb3P6N11 / P4_132 (213) / materials id 16107
Ab-initio phonon calculation for NaGe2N3 / Cmc2_1 (36) / materials id 14433
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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
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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
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1