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MDR phonon calculation database
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Ab-initio phonon calculation for Li2ZrF6 / P2_1/c (14) / materials id 542219
Ab-initio phonon calculation for RbIO3 / R3m (160) / materials id 27193
Ab-initio phonon calculation for Ba4Ta2O9 / P-3c1 (165) / materials id 769394
Ab-initio phonon calculation for Tb2TeO2 / I4/mmm (139) / materials id 16036
Ab-initio phonon calculation for Na3SbSe4 / I-43m (217) / materials id 8703
Ab-initio phonon calculation for BiBPbO4 / P2_1/c (14) / materials id 556601
Ab-initio phonon calculation for CaF2 / Fm-3m (225) / materials id 2741
Ab-initio phonon calculation for Cs3PSe4 / Pnma (62) / materials id 583193
Ab-initio phonon calculation for NaCaSiHO4 / P2_1 (4) / materials id 634418
Ab-initio phonon calculation for Cd4As2I3 / Pa-3 (205) / materials id 27528
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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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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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