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Phonon
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Ab-initio phonon calculation for CsMgI3 / P6_3/mmc (194) / materials id 29751
Ab-initio phonon calculation for La3Pt3O11 / Pn-3 (201) / materials id 768523
Ab-initio phonon calculation for IrF3 / R-3c (167) / materials id 2437
Ab-initio phonon calculation for Pd(PbCl3)2 / P2_1/c (14) / materials id 28982
Ab-initio phonon calculation for Ga2S3 / Cc (9) / materials id 539
Ab-initio phonon calculation for SrNb2Bi2O9 / Cmc2_1 (36) / materials id 23614
Ab-initio phonon calculation for K2SbF5 / Cmcm (63) / materials id 3379
Ab-initio phonon calculation for Ho2Ge2O7 / C2/m (12) / materials id 753693
Ab-initio phonon calculation for Sm5AgSe8 / I-4 (82) / materials id 38805
Ab-initio phonon calculation for Sn2OF2 / P4_2/nmc (137) / materials id 753683
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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
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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