  Trove of exotic topoloid structures has recently been predicted by searching
for compounds whose calculated band structure crossing points fulfill specific
symmetry requirements. Discovery of exciting physical phenomena by experimental
studies of such predicted compounds is just around the corner. Yet, the
examination of some of these assumed high-symmetry structures suggests that not
always will assembly of atoms in a configuration that yields exotic topological
properties be protected against energy-lowering symmetry breaking modes.
Indeed, although bulk topological characteristics lead to protected
surface/edge states, nothing protects bulk states from structural instability.
The burden of proof for theoretical predictions of exciting physical phenomena
should include some compelling hints that such phenomena can live in
thermodynamically stable (or near stable) compounds. Herein, we illustrate how
the use of the calculated total (electron + ion) energies of candidate
structures can remove false-positive predicted topoloids from the list of
likely realizable compounds, to the benefit of the much-cherished iterative
process of theory-experiment materials discovery.
