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Ab-initio phonon calculation for TeI / C2/m (12) / materials id 569766
Ab-initio phonon calculation for CaS / Fm-3m (225) / materials id 1672
Ab-initio phonon calculation for Ho3ReO8 / P2_1/c (14) / materials id 769345
Ab-initio phonon calculation for Sr3BCNCl2 / Pnma (62) / materials id 616577
Ab-initio phonon calculation for CuBi(PSe3)2 / P-31c (163) / materials id 569715
Ab-initio phonon calculation for Y2TeO6 / P2/c (13) / materials id 771238
Ab-initio phonon calculation for Na5InS4 / P2_1/m (11) / materials id 29376
Ab-initio phonon calculation for Na2La2Ti3O10 / I4/mmm (139) / materials id 6144
Ab-initio phonon calculation for NaI(OF)2 / Cmcm (63) / materials id 554948
Ab-initio phonon calculation for SiO2 / Cmmm (65) / materials id 560998
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Type of work
Dataset
10,137
Collection
MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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NIMS
10,137
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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10,034
simulations
103
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Atsushi Togo
10,137
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MEXT
10,034
Software
VASP
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10,137
phonopy
10,137
spglib
10,137
phono3py
103