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Fe2MnC_structure - relaxed

Relax a crystal structure

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -137.7658 eV; energy change = -67.5111 eV; symmetry: Pnma → Imma

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.cif file

1 input asset

Fe2MnC_structure
.cif file
Gemini 2.5 Pro generated Fe2MnC
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2 derivative assets

Fe2MnC_structure - relaxed - 2x2x2 supercell
.cif file
Supercell 2x2x2 of MnFe2C (Space group: P2_1, 16 symmetry operations)
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MnFe2C phase diagram
.html file
Phase diagram of MnFe2C; e_above_hull: 0.225988 eV/atom; predicted_stable: False
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