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Ab-initio phonon calculation for Rb2NaAl2(PO4)3 / P2_1/c (14) / materials id 559610
Ab-initio phonon calculation for CsTi3P5O19 / Cm (8) / materials id 561121
Ab-initio phonon calculation for AlH3 / Pnnm (58) / materials id 570130
Ab-initio phonon calculation for ZrPbO3 / Amm2 (38) / materials id 20337
Ab-initio phonon calculation for Rb3CO3F / R-3c (167) / materials id 8774
Ab-initio phonon calculation for RbLiSO4 / P2_1/c (14) / materials id 6211
Ab-initio phonon calculation for Ba9Sc2(SiO4)6 / R-3 (148) / materials id 558428
Ab-initio phonon calculation for InPS4 / I-4 (82) / materials id 20790
Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 647075
Ab-initio phonon calculation for K3Na2SnP3 / Cmce (64) / materials id 16847
Ab-initio phonon calculation for GaHO2 / Pmn2_1 (31) / materials id 23803
Ab-initio phonon calculation for Ca(CO2)2 / P2/m (10) / materials id 558543
Ab-initio phonon calculation for BaNaIn2(PO4)3 / P2_13 (198) / materials id 677179
Ab-initio phonon calculation for SnHg6(P2Cl3)2 / P2_13 (198) / materials id 568612
Ab-initio phonon calculation for KCuPdSe5 / P2_1/m (11) / materials id 11114
Ab-initio phonon calculation for TaAsO4 / Pnna (52) / materials id 770359
Ab-initio phonon calculation for Th2S5 / Pbcn (60) / materials id 1666
Ab-initio phonon calculation for Ca3In2(SiO4)3 / Ia-3d (230) / materials id 14052
Ab-initio phonon calculation for In2Ag2GeSe6 / Cc (9) / materials id 505607
Ab-initio phonon calculation for Li2UO4 / Pnma (62) / materials id 9607
Ab-initio phonon calculation for KAs4ClO6 / P6/mmm (191) / materials id 556233
Ab-initio phonon calculation for K2Cd(AuS)4 / Ibam (72) / materials id 557832
Ab-initio phonon calculation for Li3BO3 / P2_1/c (14) / materials id 27275
Ab-initio phonon calculation for Ho2Ti2O7 / P2_1 (4) / materials id 768695
Ab-initio phonon calculation for GePbS3 / P2_1/c (14) / materials id 624190
Ab-initio phonon calculation for RbCa(H2N)3 / C2/c (15) / materials id 696329
Ab-initio phonon calculation for NbI4 / Cmc2_1 (36) / materials id 570044
Ab-initio phonon calculation for MgAl2O4 / Cm (8) / materials id 531840
Ab-initio phonon calculation for BaBiBS4 / C2/m (12) / materials id 861618
Ab-initio phonon calculation for Ca5Si2C2O13 / P2_1/c (14) / materials id 6753
Ab-initio phonon calculation for PrIn2Cl5 / Pnma (62) / materials id 650026
Ab-initio phonon calculation for Cu3SbS3 / P2_1/c (14) / materials id 554272
Ab-initio phonon calculation for UPbO4 / Pbcm (57) / materials id 504922
Ab-initio phonon calculation for Ca3AsN / Pnma (62) / materials id 4192
Ab-initio phonon calculation for Ba2HoTaO6 / I4/m (87) / materials id 13000
Ab-initio phonon calculation for Yb(DyS2)2 / I-42d (122) / materials id 676154
Ab-initio phonon calculation for Rb3AgSn3Se8 / P4/nbm (125) / materials id 571164
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 570448
Ab-initio phonon calculation for Ho2Hf2O7 / Fd-3m (227) / materials id 554082
Ab-initio phonon calculation for Li2TiSiO5 / P4/nmm (129) / materials id 6332
Ab-initio phonon calculation for LaHO2 / P2_1/m (11) / materials id 626724
Ab-initio phonon calculation for BaSO4 / Pnma (62) / materials id 3164
Ab-initio phonon calculation for SeBr / Aea2 (41) / materials id 570589
Ab-initio phonon calculation for Cs2LiCl3 / Cmcm (63) / materials id 571390
Ab-initio phonon calculation for Tl3BSe3 / P2_1/m (11) / materials id 28490
Ab-initio phonon calculation for CsSmZnSe3 / Cmcm (63) / materials id 505709
Ab-initio phonon calculation for Na8SnO6 / P6_3cm (185) / materials id 761931
Ab-initio phonon calculation for Y3CuSnS7 / P6_3 (173) / materials id 17747
Ab-initio phonon calculation for Cs3As5O9 / P31m (157) / materials id 30300
Ab-initio phonon calculation for RbPb2Br5 / I4/mcm (140) / materials id 23043
Ab-initio phonon calculation for K3Sc(PO4)2 / P-3 (147) / materials id 17035
Ab-initio phonon calculation for Li2TiTeO6 / Pnn2 (34) / materials id 756117
Ab-initio phonon calculation for SiO2 / C2/c (15) / materials id 12787
Ab-initio phonon calculation for Ba(CuSe)2 / Pnma (62) / materials id 4473
Ab-initio phonon calculation for Sr2SnHg / Fm-3m (225) / materials id 867169
Ab-initio phonon calculation for CaGe2O5 / C2/c (15) / materials id 3707
Ab-initio phonon calculation for KTa(GeO3)3 / P-6c2 (188) / materials id 540631
Ab-initio phonon calculation for MgH8(IO5)2 / P2_1/c (14) / materials id 24566
Ab-initio phonon calculation for BaNa2Al4(SiO4)4 / Iba2 (45) / materials id 6875
Ab-initio phonon calculation for Ba2SrI6 / P-31m (162) / materials id 754196
Ab-initio phonon calculation for SnClF / P4/nmm (129) / materials id 989192
Ab-initio phonon calculation for Tl2Te / C2/c (15) / materials id 582753
Ab-initio phonon calculation for KPF6 / R-3 (148) / materials id 4608
Ab-initio phonon calculation for Ti3(BiO3)4 / Pc (7) / materials id 723064
Ab-initio phonon calculation for ZrO2 / Pnma (62) / materials id 755759
Ab-initio phonon calculation for Ba(CuS)2 / Pnma (62) / materials id 5970
Ab-initio phonon calculation for KBaNbS4 / Pnma (62) / materials id 16780
Ab-initio phonon calculation for La3ScO6 / R-3 (148) / materials id 752569
Ab-initio phonon calculation for K2SnP2O7 / P2_1/c (14) / materials id 554825
Ab-initio phonon calculation for Na7SbO6 / R3 (146) / materials id 760311
Ab-initio phonon calculation for SiO2 / Im-3m (229) / materials id 600033
Ab-initio phonon calculation for ZnH2SeO5 / C2/c (15) / materials id 23969
Ab-initio phonon calculation for NdTaO4 / C2/c (15) / materials id 4718
Ab-initio phonon calculation for BaCa2I6 / P-31m (162) / materials id 757074
Ab-initio phonon calculation for Sr(PN2)2 / P6_3 (173) / materials id 645364
Ab-initio phonon calculation for GeBr2 / P2_1/c (14) / materials id 541610
Ab-initio phonon calculation for KP(HO2)2 / I-42d (122) / materials id 696752
Ab-initio phonon calculation for InOF / Fddd (70) / materials id 27175
Ab-initio phonon calculation for NaPaO3 / Pm-3m (221) / materials id 865120
Ab-initio phonon calculation for Ca3AsBr3 / Pm-3m (221) / materials id 27294
Ab-initio phonon calculation for SrS3 / Aea2 (41) / materials id 1175
Ab-initio phonon calculation for N2O5 / P6_3/mmc (194) / materials id 504769
Ab-initio phonon calculation for Rb3BrO / Pm-3m (221) / materials id 30055
Ab-initio phonon calculation for SiCu2PbS4 / P3_221 (154) / materials id 555818
Ab-initio phonon calculation for Li8SnO6 / R-3 (148) / materials id 4527
Ab-initio phonon calculation for CaGaBO4 / Ccc2 (37) / materials id 557855
Ab-initio phonon calculation for Rb3PO4 / Pnma (62) / materials id 558170
Ab-initio phonon calculation for Tl4SnS3 / P4/ncc (130) / materials id 9622
Ab-initio phonon calculation for NaNbO3 / R3c (161) / materials id 4514
Ab-initio phonon calculation for Ca3(GeP2)2 / P2_1/c (14) / materials id 17817
Ab-initio phonon calculation for Mg(AlS2)2 / Pnma (62) / materials id 3872
Ab-initio phonon calculation for Ba7Sn3Se13 / Pnma (62) / materials id 569754
Ab-initio phonon calculation for NaCaAlF6 / P2_1/c (14) / materials id 558169
Ab-initio phonon calculation for Ta2Zn3O8 / C2/c (15) / materials id 28251
Ab-initio phonon calculation for Ca2Al3Si3HO13 / Pnma (62) / materials id 23915
Ab-initio phonon calculation for BaMg2FeH8 / P-3m1 (164) / materials id 643264
Ab-initio phonon calculation for RbI / Fm-3m (225) / materials id 22903
Ab-initio phonon calculation for KTmO2 / R-3m (166) / materials id 753774
Ab-initio phonon calculation for K2Sr(PO3)4 / I-4 (82) / materials id 558990
Ab-initio phonon calculation for K3GeSe3 / C2/m (12) / materials id 14435
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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
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Phonon
10,137
P2_1/c (14)
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Pnma (62)
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C2/c (15)
599
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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
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Author
Atsushi Togo
10,137
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MEXT
10,034
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VASP
10,137
phonopy
10,137
spglib
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10,137
phono3py
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