6d Mn2Fe6BiN (P4/mmm) - geometry optimization report
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1
12d We should be relaxing cell params too
20d Interstitial doping endpoint added
This interstitial doping implementation offers researchers a systematic, reproducible approach to generating initial doped structures.
28d Material cost calculator endpoint added
1mo Bug in relaxing materials generated by MatterGen
2mo Phase-diagram and energy-above-hull endpoint announcement
2mo New generative models for inorganic materials design on Ouro
4mo New materials characterization API routes
6mo General materials discovery pipeline
6mo Comparing MLIP and MLFF, aggregation methods