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Ab-initio phonon calculation for K2TiO3 / Cmcm (63) / materials id 13133
Ab-initio phonon calculation for Na5Y4Si4O16F / I-4 (82) / materials id 557696
Ab-initio phonon calculation for RbNd(PO3)4 / P2_1/c (14) / materials id 540611
Ab-initio phonon calculation for Er2Hf2O7 / Fd-3m (227) / materials id 557890
Ab-initio phonon calculation for Cs2NaNF6 / Fm-3m (225) / materials id 989527
Ab-initio phonon calculation for Th2SN2 / P-3m1 (164) / materials id 7769
Ab-initio phonon calculation for Tl(IO3)3 / R-3 (148) / materials id 972032
Ab-initio phonon calculation for KLaGeSe4 / P2_1 (4) / materials id 21097
Ab-initio phonon calculation for LiSi2N3 / Cmc2_1 (36) / materials id 5853
Ab-initio phonon calculation for Na2SeO4 / Fddd (70) / materials id 5141
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 554820
Ab-initio phonon calculation for RbDyS2 / R-3m (166) / materials id 7046
Ab-initio phonon calculation for KSnS4 / P2_1/c (14) / materials id 541379
Ab-initio phonon calculation for Ca3Si2O7 / P2_1/c (14) / materials id 3932
Ab-initio phonon calculation for HfO2 / P4_2/mnm (136) / materials id 776532
Ab-initio phonon calculation for KGaP2O7 / P2_1/c (14) / materials id 18348
Ab-initio phonon calculation for RbP(HO2)2 / Fdd2 (43) / materials id 23667
Ab-initio phonon calculation for K2NaGaAs2 / Ibam (72) / materials id 9676
Ab-initio phonon calculation for Na2SiF6 / P321 (150) / materials id 3775
Ab-initio phonon calculation for Pb13(Cl3O5)2 / C2/c (15) / materials id 561236
Ab-initio phonon calculation for Zn2B2PbO6 / Pccn (56) / materials id 560471
Ab-initio phonon calculation for K2TiSi3(HO5)2 / P2_12_12_1 (19) / materials id 758597
Ab-initio phonon calculation for ZnP2 / P4_32_12 (96) / materials id 11025
Ab-initio phonon calculation for RbBaTaS4 / Pnma (62) / materials id 867884
Ab-initio phonon calculation for LiGa5O8 / P4_332 (212) / materials id 28146
Ab-initio phonon calculation for NaYF4 / I4_1/amd (141) / materials id 34081
Ab-initio phonon calculation for CrSbSe3 / Pnma (62) / materials id 15236
Ab-initio phonon calculation for Hg3(BO3)2 / R-3c (167) / materials id 4710
Ab-initio phonon calculation for Ca3N2 / Ia-3 (206) / materials id 844
Ab-initio phonon calculation for Ba3Y(BO2)9 / P6_3/m (176) / materials id 559066
Ab-initio phonon calculation for Cs2NaInCl6 / Fm-3m (225) / materials id 989571
Ab-initio phonon calculation for CsLaS2 / R-3m (166) / materials id 561586
Ab-initio phonon calculation for Na2PdCl4 / P4/ncc (130) / materials id 29359
Ab-initio phonon calculation for TaPS6 / I4_1/acd (142) / materials id 27673
Ab-initio phonon calculation for Na4Cu2S3 / I4_1/a (88) / materials id 28789
Ab-initio phonon calculation for CaZnAsHO5 / P2_12_12_1 (19) / materials id 24018
Ab-initio phonon calculation for ZnTe6O13 / R-3 (148) / materials id 560198
Ab-initio phonon calculation for BaDy2ZnO5 / Pnma (62) / materials id 6643
Ab-initio phonon calculation for K2ScSi4O10F / I4/m (87) / materials id 557777
Ab-initio phonon calculation for Li3BiS3 / R3c (161) / materials id 753677
Ab-initio phonon calculation for Al10Ge2O19 / Cmc2_1 (36) / materials id 28499
Ab-initio phonon calculation for WN2 / P3_121 (152) / materials id 754629
Ab-initio phonon calculation for RbHoSe2 / R-3m (166) / materials id 10783
Ab-initio phonon calculation for NbAlFe2 / Fm-3m (225) / materials id 865280
Ab-initio phonon calculation for Cs2Li3Br5 / C2/m (12) / materials id 571409
Ab-initio phonon calculation for RbYO2 / R-3m (166) / materials id 14437
Ab-initio phonon calculation for Li3AlF6 / C2/c (15) / materials id 15254
Ab-initio phonon calculation for CuBr / F-43m (216) / materials id 22913
Ab-initio phonon calculation for Sr(SbO3)2 / P-31m (162) / materials id 9126
Ab-initio phonon calculation for KAlH4 / I4_1/a (88) / materials id 644486
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10,137
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
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Phonon
10,137
P2_1/c (14)
1,072
Pnma (62)
839
C2/c (15)
599
C2/m (12)
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10,137
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Creative Commons BY Attribution 4.0 International
10,137
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simulation
10,034
simulations
103
Author
Atsushi Togo
10,137
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MEXT
10,034
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VASP
10,137
phonopy
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spglib
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10,137
phono3py
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