Ternary Li–H–F phase diagram (zero pressure, static lattice). The data points are colored according to their distance from the convex hull, in meV/atom. Squares represent thermodynamically stable phases, and circles represent metastable phases. Black lines connect stable phases. The enthalpy of formation, ΔH_F, is calculated using the equation ΔH_F = H(Li_xF_yH_z)–xH(Li)$−y2$H(F₂)$−z2$H(H₂). The hull distance was calculated using the enthalpies of the following experimentally determined or theoretically predicted structures: $R3¯$m phase of Li,¹⁰¹ P6₃/m phase of H₂,⁴⁸ C2/m phase of F₂,¹⁰² P4/mmm phase of LiF,¹⁰³ Cmc2₁ phase of HF,⁵³ and Fm$3¯$m phase of LiH.