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MDR phonon calculation database
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Ab-initio phonon calculation for Y2Be2GeO7 / P-42_1m (113) / materials id 541040
Ab-initio phonon calculation for KTlO / C2/m (12) / materials id 27716
Ab-initio phonon calculation for HPbBrO / Pnma (62) / materials id 643727
Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) / materials id 984055
Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) / materials id 557301
Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) / materials id 541732
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) / materials id 557758
Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) / materials id 5487
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221
Ab-initio phonon calculation for NdZnPO / R-3m (166) / materials id 9518
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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
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MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034