Phase diagram of ZrS2 with Orb v3 conservative inf MPA; e_above_hull: 0.024065 eV/atom; predicted_stable: True
1T-phase ZrS2 crystal structure for Cycle 20 TMD HER catalyst analysis. Space group P-3m1 (#164), a=3.625, c=5.827. Built from experimental lattice parameters.
Cycle 20: Six TMD HER catalysts (MoS2, WS2, MoSe2, WSe2, TiS2, ZrS2) tested through Ouro routes — all pass symmetry and stability gates. Zero P1 collapse, all on convex hull, ALIGNN sulfide-selenide bias documented.