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MDR phonon calculation database
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Ab-initio phonon calculation for K2Ti8O17 / C2/m (12) / materials id 762279
Ab-initio phonon calculation for Na5P3O10 / C2/c (15) / materials id 557529
Ab-initio phonon calculation for In2GaBiS6 / P2_1/m (11) / materials id 556231
Ab-initio phonon calculation for MgTi2(PO5)2 / P2_1/c (14) / materials id 561065
Ab-initio phonon calculation for SrSi2(BO4)2 / Pnma (62) / materials id 6032
Ab-initio phonon calculation for TlCl / Fm-3m (225) / materials id 569639
Ab-initio phonon calculation for Rb3AlO3 / C2/m (12) / materials id 14951
Ab-initio phonon calculation for H8Pt(NCl3)2 / Fm-3m (225) / materials id 24227
Ab-initio phonon calculation for K6Na3AlSb4 / P6_3/mmc (194) / materials id 541707
Ab-initio phonon calculation for Ta2Pt3S8 / Pbam (55) / materials id 560046
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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
Funder
MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
10,034