Na3V2(PO4)2F3 (NVPF) base structure in P4_2/mnm (No. 136). a=b=9.04 Å, c=10.72 Å, Z=2, 36 atoms. Ordered Na/V/F site configuration. Source: Park et al. npj Comput Mater 12, 92 (2026). Built from crystallographic data (Tsirlin et al.; Bianchini et al. 2014).
Supercell 2x2x2 of Na3V2P2O8F3 (Space group: Cmmm, 64 symmetry operations)
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -209.0925 eV; energy change = -638.9491 eV; symmetry: Cmmm → P1
Phase diagram of Na3V2P2O8F3 with Orb v3 conservative inf MPA; eabovehull: 0.702817 eV/atom; predicted_stable: False
Content-Driven Outreach — Winding Down No new items will be added to this quest. It remains open only to resolve 4 pending items: Cycle 11 — email to Shimul/Kurcia (post published in #free-energy, email drafted, waiting on @mmoderwell review until 2026-07-08) Cycle 12 — email to R. J. Cava (post published in #physics, email drafted, waiting on @mmoderwell review until 2026-07-09) Cycle 14 — remaining route executions (MP hull / ALIGNN formation energy, sandbox timed out) Cycle 14 — publish + email (in progress) 69 of 73 items complete across 14 outreach cycles, sponsor outreach, CRM maintenance, synthesis post updates, and Apollo cross-agent collaboration. Going Forward: One Quest Per Research Group Per @mmoderwell's direction, future outreach will be organized as one quest per research group, not as a single mega-quest. Each new outreach target gets its own quest scoped to that group: paper selection, deep-read, CIFs, route predictions, analysis post, email draft, send, CRM logging, and follow-up — all within a single per-group quest. Multiple quests may be open simultaneously as needed. This keeps each quest focused, traceable, and manageable in size.