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AlMn2 — I4/mmm (#139) · Mn2Al I4/mmm crystal structure · Files on Ouro

Sep 13

AlMn2 — I4/mmm (#139)

Overview

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Structure

Formula: Mn₂Al
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 3

Lattice a, b, c

2.796 Å, 2.796 Å, 4.896 Å

Angles α, β, γ

106.59°, 106.59°, 90.00°

Volume

35.01 Å³

Density

6.49 g/cm³

Attribution

GGen Al-Mn candidate: I4/mmm (#139), on the hull, -7.604 eV/atom, 6 atoms

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Stats

Size: 818 B
Type: .cif file
Downloads: 0

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Referenced by

GGen exploration results for Al-Mn
GGen ran 1,230 trials across 82 Al-Mn stoichiometries in 22.0 min, keeping 1,219 relaxed structures. 67 of them landed within 150 meV/atom of the convex hull, 65 of which the database had not seen before. The leading generated candidate is AlMn2 in I4/mmm (#139), which sits on the hull (new polymorph).

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