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MDR phonon calculation database
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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
Ab-initio phonon calculation for Y2Be2GeO7 / P-42_1m (113) / materials id 541040
Ab-initio phonon calculation for KTlO / C2/m (12) / materials id 27716
Ab-initio phonon calculation for HPbBrO / Pnma (62) / materials id 643727
Ab-initio phonon calculation for Ca7(H6Cl)2 / P-6 (174) / materials id 984055
Ab-initio phonon calculation for K2Ti(Si2O5)3 / P2_1 (4) / materials id 557301
Ab-initio phonon calculation for Al3Pb5F19 / I4cm (108) / materials id 541732
Ab-initio phonon calculation for LaMg(BO2)5 / P2_1/c (14) / materials id 557758
Ab-initio phonon calculation for Sr3SiO5 / P4/ncc (130) / materials id 5487
Ab-initio phonon calculation for Ca2Hf7O16 / R-3 (148) / materials id 27221
Ab-initio phonon calculation for NdZnPO / R-3m (166) / materials id 9518
Ab-initio phonon calculation for NaMg2H3(SO4)2 / C2/m (12) / materials id 541081
Ab-initio phonon calculation for RbCdBr3 / Pnma (62) / materials id 27400
Ab-initio phonon calculation for K2ZnCl4 / Pna2_1 (33) / materials id 618177
Ab-initio phonon calculation for KErTe2 / R-3m (166) / materials id 9263
Ab-initio phonon calculation for Cs2SnF6 / P-3m1 (164) / materials id 7297
Ab-initio phonon calculation for LiPr(SO4)2 / P2_1/c (14) / materials id 559719
Ab-initio phonon calculation for KPrS2 / R-3m (166) / materials id 15782
Ab-initio phonon calculation for Ba2AlInO5 / P6_3/mmc (194) / materials id 556282
Ab-initio phonon calculation for Ba3(BN2)2 / P2_12_12_1 (19) / materials id 30905
Ab-initio phonon calculation for YNbO4 / C2/c (15) / materials id 5387
Ab-initio phonon calculation for Cs3Sb2I9 / P6_3/mmc (194) / materials id 23029
Ab-initio phonon calculation for NdI3 / P6_3/mmc (194) / materials id 864617
Ab-initio phonon calculation for BaLi2P2O7 / C2/c (15) / materials id 6175
Ab-initio phonon calculation for Cd2Ge7O16 / P-4b2 (117) / materials id 29213
Ab-initio phonon calculation for MgO / Fm-3m (225) / materials id 1265
Ab-initio phonon calculation for Bi2Se3 / R-3m (166) / materials id 541837
Ab-initio phonon calculation for Li2GeF6 / P321 (150) / materials id 5368
Ab-initio phonon calculation for CuI / P6_3mc (186) / materials id 569346
Ab-initio phonon calculation for Ba2NdNbO6 / Fm-3m (225) / materials id 12637
Ab-initio phonon calculation for TbZn(BO2)5 / P2_1/c (14) / materials id 15520
Ab-initio phonon calculation for TiAs2O7 / P2_1/c (14) / materials id 17196
Ab-initio phonon calculation for H2C / Pnma (62) / materials id 985782
Ab-initio phonon calculation for NaSr3RuO6 / R-3c (167) / materials id 6233
Ab-initio phonon calculation for Si(CuP2)4 / I4_1/a (88) / materials id 28995
Ab-initio phonon calculation for BaP3 / C2/m (12) / materials id 7808
Ab-initio phonon calculation for K2HfF6 / P4/mnc (128) / materials id 8590
Ab-initio phonon calculation for Li2SnP2O7 / C2/c (15) / materials id 27033
Ab-initio phonon calculation for K2In12Se19 / R-3 (148) / materials id 21836
Ab-initio phonon calculation for SrLi2Ta2O7 / Cmcm (63) / materials id 558054
Ab-initio phonon calculation for TbBa2SbO6 / Fm-3m (225) / materials id 6265
Ab-initio phonon calculation for KNa22C2S9ClO42 / P6_3/m (176) / materials id 23660
Ab-initio phonon calculation for Bi9AuBr9 / P2_1/c (14) / materials id 684015
Ab-initio phonon calculation for KNd2NbO6 / C2/m (12) / materials id 558128
Ab-initio phonon calculation for PrPtF7 / P2_1/c (14) / materials id 17446
Ab-initio phonon calculation for ScTaO4 / P2/c (13) / materials id 558781
Ab-initio phonon calculation for BiOF / Pnma (62) / materials id 753360
Ab-initio phonon calculation for TiCoSb / F-43m (216) / materials id 5967
Ab-initio phonon calculation for LiTlO2 / I4_1/amd (141) / materials id 8179
Ab-initio phonon calculation for LaYO3 / Pnma (62) / materials id 10429
Ab-initio phonon calculation for Cs3H(SeO4)2 / C2/m (12) / materials id 23980
Ab-initio phonon calculation for AgBr / P2_1/m (11) / materials id 570301
Ab-initio phonon calculation for CaSc2O4 / Pnma (62) / materials id 4056
Ab-initio phonon calculation for LiH3O2 / C2/m (12) / materials id 27281
Ab-initio phonon calculation for Cs4Zr3S14 / C2/c (15) / materials id 680246
Ab-initio phonon calculation for Cs2PtF6 / P-3m1 (164) / materials id 8191
Ab-initio phonon calculation for CdI2 / P3m1 (156) / materials id 571667
Ab-initio phonon calculation for Ba3SiO5 / I4/mcm (140) / materials id 7765
Ab-initio phonon calculation for BaU(SiO4)2 / Cmcm (63) / materials id 555561
Ab-initio phonon calculation for YSeF / P2_1/m (11) / materials id 696195
Ab-initio phonon calculation for MgBP(H3O4)2 / R-3c (167) / materials id 758868
Ab-initio phonon calculation for CaAlH5 / P2_12_12_1 (19) / materials id 654956
Ab-initio phonon calculation for Li3BiS3 / Pna2_1 (33) / materials id 753520
Ab-initio phonon calculation for Na3Li3Sc2F12 / Ia-3d (230) / materials id 14023
Ab-initio phonon calculation for Ca4Bi2O / I4/mmm (139) / materials id 551873
Ab-initio phonon calculation for Ga2HgS4 / I-4 (82) / materials id 4809
Ab-initio phonon calculation for KAuF4 / I4/mcm (140) / materials id 5309
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 556423
Ab-initio phonon calculation for Pr3Si2S8Cl / C2/c (15) / materials id 556179
Ab-initio phonon calculation for YbB4O7 / Pmn2_1 (31) / materials id 752484
Ab-initio phonon calculation for Cd3(AsO4)2 / P2_1/c (14) / materials id 13602
Ab-initio phonon calculation for CsRb2SiF7 / P4/mbm (127) / materials id 7380
Ab-initio phonon calculation for KAlSiO4 / P6_3 (173) / materials id 8355
Ab-initio phonon calculation for HoPtF7 / P2_1/c (14) / materials id 17651
Ab-initio phonon calculation for SiO2 / Cmcm (63) / materials id 600039
Ab-initio phonon calculation for KAlH2CO5 / Cmcm (63) / materials id 644285
Ab-initio phonon calculation for Ba2CaI6 / P4_2/mnm (136) / materials id 753731
Ab-initio phonon calculation for CsBe2BO3F2 / R32 (155) / materials id 553342
Ab-initio phonon calculation for Ba2Ti6N2O11 / Cm (8) / materials id 776466
Ab-initio phonon calculation for Na2Si2O5 / P2_1/c (14) / materials id 3193
Ab-initio phonon calculation for DyHO2 / Pnma (62) / materials id 755659
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10,034
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MDR phonon calculation database
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10,034
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Phonon
10,034
P2_1/c (14)
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Pnma (62)
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NIMS
10,034
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Creative Commons BY Attribution 4.0 International
10,034
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simulation
10,034
Author
Atsushi Togo
10,034
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MEXT
10,034
Software
VASP
10,034
phonopy
10,034
spglib
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