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MDR phonon calculation database
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Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) / materials id 864617
Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) / materials id 6175
Ab-initio phonon calculation for Cd2Ge7O16 / P-4b2 (117) / materials id 29213
Ab-initio phonon calculation for MgO / Fm-3m (225) / materials id 1265
Ab-initio phonon calculation for Bi2Se3 / R-3m (166) / materials id 541837
Ab-initio phonon calculation for Li2GeF6 / P321 (150) / materials id 5368
Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346
Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) / materials id 12637
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) / materials id 15520
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) / materials id 17196
Ab-initio phonon calculation for H2C / Pnma (62) / materials id 985782
Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233
Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) / materials id 28995
Ab-initio phonon calculation for BaP3 / C2/m (12) / materials id 7808
Ab-initio phonon calculation for K2HfF6 / P4/mnc (128) / materials id 8590
Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) / materials id 27033
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836
Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) / materials id 558054
Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) / materials id 6265
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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
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034