Fig. 1.

Definition of the molecules and the starting conformations used in the searches for possible hydrate structures, and the definition of the stabilisation energy E_stab from the lattice energy^§ of each predicted hydrate structure and the given lattice energy of the experimentally most stable DHB anhydrous polymorph (AH) as determined by thermal and slurrying measurements (ESI^†). Hydrate formation is thermodynamically expected if E_stab < E_latt (ice).