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Al4Mn4 — P4/mmm (#123) · MnAl P4/mmm crystal structure · Files on Ouro

Sep 13

Al4Mn4 — P4/mmm (#123)

Overview

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Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Lattice a, b, c

2.748 Å, 2.748 Å, 3.500 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

26.44 Å³

Density

5.14 g/cm³

Attribution

GGen Al-Mn candidate: P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 2 atoms

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Stats

Size: 760 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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