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. Author manuscript; available in PMC: 2024 Nov 19.
Published in final edited form as: NPJ Comput Mater. 2020;6(1):10.1038/s41524-020-0337-2. doi: 10.1038/s41524-020-0337-2

Table. 2.

Some examples of materials with low IR-modes. Complete data is available in the supplementary information.

Formula Dimensionality JID Spg. Min. mode (cm−1)
BaSr2I6 3D JVASP-50964 162 3.4
TlSbSe2 3D JVASP-56763 4 9.4
Ca2SnS4 3D JVASP-40157 189 9.9
RbCaI3 3D JVASP-36914 6 5.1
K3ClO 3D JVASP-53363 38 18.8
HgI2 2D JVASP-5224 137 8.4
Nb2Te6I 2D JVASP-5575 14 14.3
Bi2Se3 2D JVASP-5215 62 22.5
Ag3SI 2D JVASP-29974 4 28.3
Sb2S2O 2D JVASP-30438 12 29.0
Mn(SbS2)2 1D JVASP-32156 12 13.9
AlTlSe2 1D JVASP-8210 140 22.5
NbI5 1D JVASP-5845 14 24.0
BiSeCl 1D JVASP-32942 62 28.1
SnICl 1D JVASP-32820 62 29.6
P2Se5 0D JVASP-5590 14 16.3
Ta(TeBr3)2 0D JVASP-5662 2 25.3
HgIBr 0D JVASP-22656 36 28.4
Ga2PdI8 0D JVASP-5815 12 30.7
AlTeI7 0D JVASP-5653 7 32.9