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MDR phonon calculation database
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Ab-initio phonon calculation for FeP4 / C2/c (15) / materials id 570553
Ab-initio phonon calculation for Ca2BrN / R-3m (166) / materials id 23009
Ab-initio phonon calculation for Ca3TiBe2Si2(As3O10)2 / P-3c1 (165) / materials id 558370
Ab-initio phonon calculation for Cs2SeCl6 / Fm-3m (225) / materials id 27830
Ab-initio phonon calculation for SnF4 / I4/mmm (139) / materials id 2706
Ab-initio phonon calculation for Rh2S3 / R-3c (167) / materials id 974381
Ab-initio phonon calculation for SiO2 / P6_422 (181) / materials id 10851
Ab-initio phonon calculation for Sr(Li2P)2 / R-3m (166) / materials id 570097
Ab-initio phonon calculation for TlF / Fm-3m (225) / materials id 2175
Ab-initio phonon calculation for GaCl2 / Pnna (52) / materials id 568848
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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
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MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034