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Al4CMn6 — P4/m (#83) · Mn6Al4C P4/m crystal structure · Files on Ouro

Sep 4

Al4CMn6 — P4/m (#83)

Overview

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Structure

Formula: Mn₆Al₄C
Space group: P4/m (83)
Crystal system: Tetragonal
Atoms per cell: 11

Lattice a, b, c

3.759 Å, 5.985 Å, 5.985 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

134.64 Å³

Density

5.54 g/cm³

Attribution

GGen Al-C-Mn candidate: P4/m (#83), 26 meV/atom above the hull, -7.402 eV/atom, 11 atoms

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Stats

Size: 1.22 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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