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MDR phonon calculation database
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Ab-initio phonon calculation for BaHgO2 / R-3m (166) / materials id 3915
Ab-initio phonon calculation for K2BiF5 / Pnma (62) / materials id 561290
Ab-initio phonon calculation for AlH3 / R-3c (167) / materials id 23933
Ab-initio phonon calculation for KRb2GaF6 / Fm-3m (225) / materials id 13190
Ab-initio phonon calculation for Ba2ErSbO6 / Fm-3m (225) / materials id 6231
Ab-initio phonon calculation for CaTeO4 / Pbcn (60) / materials id 12221
Ab-initio phonon calculation for Cd(In2I3)2 / P4/mnc (128) / materials id 616218
Ab-initio phonon calculation for AgCl / P2_1/m (11) / materials id 570687
Ab-initio phonon calculation for SrMgH4 / Cmc2_1 (36) / materials id 643009
Ab-initio phonon calculation for Ca3Ta2O8 / C2/c (15) / materials id 769390
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Type of work
Dataset
10,034
Collection
MDR phonon calculation database
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10,034
Keyword
Phonon
10,034
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
368
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NIMS
10,034
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Dataset
10,034
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open
10,034
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
10,034
Data origin
simulation
10,034
Author
Atsushi Togo
10,034
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034