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Phonon
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Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177
Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263
Ab-initio phonon calculation for Cs2SnF6 / P-3m1 (164) / materials id 7297
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719
Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282
Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) / materials id 30905
Ab-initio phonon calculation for YNbO4 / C2/c (15) / materials id 5387
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,137
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Dataset
10,137
Visibility
open
10,137
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,137
Data origin
simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
Funder
MEXT
10,034
Software
VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103