Fe2TaN (P-6m2) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.9246 eV; energy change = -1.2445 eV; symmetry: P-6m2 → P-6m2
Fe2TaN (P-6m2)
.cif fileFe2TaN (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
3moTaFe2N phase diagram
.html filePhase diagram of TaFe2N; e_above_hull: 1.122509 eV/atom; predicted_stable: False
3mo
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