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MDR phonon calculation database
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Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) / materials id 654956
Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) / materials id 753520
Ab-initio phonon calculation for Na3Li3Sc2F12 / Ia-3d (230) / materials id 14023
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) / materials id 551873
Ab-initio phonon calculation for Ga2HgS4 / I-4 (82) / materials id 4809
Ab-initio phonon calculation for KAuF4 / I4/mcm (140) / materials id 5309
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 556423
Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) / materials id 556179
Ab-initio phonon calculation for YbB4O7 / Pmn2_1 (31) / materials id 752484
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) / materials id 13602
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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)
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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
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