We present the first-principles predicted topological materials by symmetry-indicator theory (e.g. for symmetry-indicator of space group 2, you can search for "SI-SG2"):
- topological insulators (TIs);
- topological crystalline insulators (TCIs); and
- topological semimetals (TSMs).
These three main categories are further classified by the space groups (SGs). We also provide structure files, obtained from the ICSD materials database [M. Hellenbrandt, Crystallography Reviews 10, 17 (2004)].
To search for a compound of interest, please note the following naming convention:
- Elements in a compound are arranged in alphabetical order; and
- The number "1" is appended to an element even if it only appear once in the chemical formula.
For instance, the following search prompts will return the entry for Na3Bi: "Bi1Na3", "Na Bi", or "Bi Na". However, as of now the search prompt "Na3Bi" will not return any result.