Fig. 1: The phase diagram of the Lu-N-H system at 1 GPa.
From: Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system
a The phase diagram of Lu-N-H with respect to elements. Only the lowest-lying enthalpy state is shown for each stoichiometry. b The phase diagram relative to stable \(P\bar{3}c1\) LuH3 and metastable P21/m LuH2N, in which Hhull ≤ 0.3 eV⋅atom−1. c The phase diagram of Lu-H with respect to elements, in which Hhull ≤ 0.8 eV⋅atom−1. The black circles in all panels represent the thermodynamically stable phases. Square markers refer to phases located above the convex hull, with color coding their energy distance from the convex hull. The line between LuH3 and LuH2 in (c) is set to dash because it is not a convex hull as those in other panels.
