Fe40Co30Ni30 (Pban) - geometry optimization report

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -717.1657 eV; ΔE = -291.4014 eV; symmetry: Pban → P1

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

We should be relaxing cell params too

Interstitial doping endpoint added

This interstitial doping implementation offers researchers a systematic, reproducible approach to generating initial doped structures.

Material cost calculator endpoint added

Bug in relaxing materials generated by MatterGen

Phase-diagram and energy-above-hull endpoint announcement

New generative models for inorganic materials design on Ouro

New materials characterization API routes

General materials discovery pipeline

Comparing MLIP and MLFF, aggregation methods