Table. 1.
Some examples of materials with high IR-modes. Complete data is available in the supplementary information.
| Formula | Dimensionality | JID | Spg. | Max. mode (cm−1) |
|---|---|---|---|---|
| YHO2 | 3D | JVASP-54770 | 11 | 3673.6 |
| Ca(HO)2 | 3D | JVASP-3714 | 164 | 3669.40 |
| SrH4O3 | 3D | JVASP-51024 | 6 | 3656.2 |
| MoH4O5 | 3D | JVASP-54730 | 1 | 3653.8 |
| SrHClO | 3D | JVASP-3723 | 186 | 3632.3 |
| Mg5(HO3)2 | 2D | JVASP-13093 | 164 | 3765.0 |
| Al2Si2H4O9 | 2D | JVASP-29330 | 1 | 3684.6 |
| Zn(HO)2 | 2D | JVASP-29800 | 164 | 3645.2 |
| Al(HO)3 | 2D | JVASP-29385 | 1 | 3576.7 |
| FePH5CO4 | 2D | JVASP-29727 | 7 | 3410.8 |
| MoH2Cl2O3 | 1D | JVASP-33602 | 31 | 3582.2 |
| MnH4(ClO)2 | 1D | JVASP-27170 | 12 | 3446.1 |
| SnH4(NF)2 | 1D | JVASP-33072 | 12 | 3356.1 |
| ZnH8(N2Cl)2 | 1D | JVASP-33028 | 12 | 3312.2 |
| H2C | 1D | JVASP-33878 | 62 | 2950.5 |
| BH6CN3F4 | 0D | JVASP-33800 | 160 | 3491.7 |
| MgH4(ClO)2 | 0D | JVASP-24028 | 12 | 3454.9 |
| H5NO | 0D | JVASP-33004 | 19 | 3408.9 |
| BH5CN2 | 0D | JVASP-33308 | 33 | 3333.1 |
| MgTe(H4O3)3 | 0D | JVASP-32180 | 146 | 3276.0 |