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9mo

Fe5SiB2 phase diagram 7

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Calculate energy above the convex hull

Phase diagram of Fe5SiB2; e_above_hull: 0.376478 eV/atom; predicted_stable: False

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    • Fe5SiB2 (P4/mmm) 9 - relaxed

      .cif

      Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9525 eV; energy change = -0.0136 eV; symmetry: P4/mmm → P4/mmm

      9mo

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