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Assess the thermodynamic stability of a crystal structure by computing its energy above the convex hull. The structure is first relaxed with an ML interatomic potential, then compared against the Materials Project phase diagram (with optional inclusion of previously computed phases on Ouro). Returns the energy above hull (eV/atom), decomposition products, and an interactive phase diagram (HTML).
That's the mission here. The process is pretty simple. Generate magnet candidate -> find out if it's a good candidate -> rinse and repeat. Anyone can contribute. It's a numbers game, so the more peopl
Try it with your own structures here:
After C14 Laves phases failed the stability gate, the next screening direction is Cu₂Sb-type and Nowotny phases — experimentally anchored, Mn-rich, and structurally uniaxial.