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9mo

Fe8N phase diagram 3

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Phase diagram of Fe8N; e_above_hull: 1.507826 eV/atom; predicted_stable: False

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    1 input asset
    • Fe8N (P6_3/mmc) 1 - relaxed

      .cif

      Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2050 eV; symmetry: P63/mmc → P63/mmc

      9mo
Calculate energy above the convex hull