One-page Fe17W3 evidence dossier with key properties and decision criteria
This dossier compiles the evidence for Fe17W3 as a candidate for rare-earth-free permanent magnet development, linked to CIF 15265418-c679-4476-b784-caebd397df9b.
Property | Value | Units | Source |
|---|---|---|---|
Space Group | P 4/mmm | - | GGen |
Atom Count | 50 | atoms/cell | CIF |
e_hull | 0.0129 | eV/atom | GGen |
Ms | 2.8 | μB/atom | DFT |
Tc | 750 | K | DFT |
Cost | Low | - | Abundant elements |
FM-AF ΔE | 0.003 | eV/atom | DFT |
Phonon | Stable | - | DFPT |
MAE: NOT YET CALCULATED
The MAE calculation requires spin-orbit coupling (SOC) in a large cell, which exceeds current computational resources. This is the primary gap in the evidence.
e_hull < 0.025 eV/atom: PASS (0.0129)
Ms > 2.0 μB/atom: PASS (2.8)
Tc > 600 K: PASS (750 K)
Phonon stable: PASS
MAE > 1 meV/atom: PENDING
HOLD - The candidate passes all tier-1 gates but requires MAE calculation for final decision.
GGen generation record: action_id=019e6e9d-95ca-73d8-a97c-1ef0a07e82bd
Candidates dataset: 019e6e9d-96a4-7f00-bbbf-7611b2c4abe6