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Ab-initio phonon calculation for CsSnBr3 / Pm-3m (221) / materials id 27214
Ab-initio phonon calculation for Rb4Br2O / I4/mmm (139) / materials id 30004
Ab-initio phonon calculation for Ga2O3 / C2/m (12) / materials id 886
Ab-initio phonon calculation for Rb3Sm(PS4)2 / P2_1 (4) / materials id 17894
Ab-initio phonon calculation for Na2ZnSiO4 / Pc (7) / materials id 6391
Ab-initio phonon calculation for ZnSeO3 / Pbca (61) / materials id 5338
Ab-initio phonon calculation for BaAgTeF / P4/nmm (129) / materials id 16742
Ab-initio phonon calculation for CaIn2O4 / Fd-3m (227) / materials id 22766
Ab-initio phonon calculation for In(HO)3 / R-3 (148) / materials id 626412
Ab-initio phonon calculation for Cs2TeCl6 / Fm-3m (225) / materials id 23465
Ab-initio phonon calculation for Na2Bi4O7 / C2/c (15) / materials id 780246
Ab-initio phonon calculation for HgPbF6 / R-3 (148) / materials id 35659
Ab-initio phonon calculation for Dy2Ge2O7 / Fd-3m (227) / materials id 754646
Ab-initio phonon calculation for KLaSiSe4 / P2_1 (4) / materials id 861606
Ab-initio phonon calculation for Sr(HO)2 / Pnma (62) / materials id 27425
Ab-initio phonon calculation for KPr3Te8 / P2_1/c (14) / materials id 567710
Ab-initio phonon calculation for Ga3PO7 / R3m (160) / materials id 3107
Ab-initio phonon calculation for AlN / P6_3mc (186) / materials id 661
Ab-initio phonon calculation for Sr2GaSbO6 / Fm-3m (225) / materials id 6065
Ab-initio phonon calculation for SrSO4 / Pnma (62) / materials id 5285
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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)
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Pnma (62)
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C2/c (15)
599
C2/m (12)
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NIMS
10,137
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Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
103
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Atsushi Togo
10,137
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MEXT
10,034
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VASP
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10,137
phonopy
10,137
spglib
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phono3py
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