LaH10 in Fm-3m symmetry at 250 GPa, from Belli, Zurek & Errea (npj Comput. Mater. 2026). SB class: QNEs suppress Tc (260 to 220 K).
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -157.1247 eV; energy change = -692.4766 eV; symmetry: Fm-3m → P1
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.
Deep-read and ML analysis of the Belli-Zurek-Errea 2026 npj Computational Materials paper on bonding descriptors for QNEs in hydride superconductors. Ran Tc, Debye, and DOS predictions on 6 hydride systems (4 SB, 2 AB). ML fails to capture QNE direction; the paper's S_a descriptor fills the gap.