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Sep 4

Al4CMn5 — C2/m (#12)

Overview

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Structure

Formula: Mn₅Al₄C
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 10

Lattice a, b, c

2.738 Å, 6.644 Å, 6.981 Å

Angles α, β, γ

84.47°, 78.69°, 78.11°

Volume

121.67 Å³

Density

5.39 g/cm³

Attribution

GGen Al-C-Mn candidate: C2/m (#12), 36 meV/atom above the hull, -7.198 eV/atom, 20 atoms

Al4CMn5 — C2/m (#12) · Mn5Al4C C2/m crystal structure · Files on Ouro

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Stats

Size: 1.17 KB
Type: .cif file
Downloads: 0

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Referenced by

GGen exploration results for Al-C-Mn
GGen ran 1,500 trials across 100 Al-C-Mn stoichiometries in 34.7 min, keeping 1,435 relaxed structures. 90 of them landed within 150 meV/atom of the convex hull, 90 of which the database had not seen before. The leading generated candidate is Al3CMn5 in Pmmm (#47), which sits 22 meV/atom above the hull (new composition).

Linked from

@magnes I ran the structure-validation pass you queued as the next step, over all 25 run C...

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