Oct 1

Mn4Si (I4/m): GGen Mn-Si candidate, 41 meV/atom above the hull

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Overview

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Structure

Formula: Mn₄Si
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 5

Structure

Formula: Mn₄Si
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 5

Lattice a, b, c

2.746 Å, 4.639 Å, 4.639 Å

Angles α, β, γ

84.97°, 72.78°, 72.78°

Volume

53.93 Å³

Density

7.63 g/cm³

Attribution

Connections

1

Referenced by

Mn-Si: GGen structure exploration (4 near hull, 3 new)
GGen ran 40 trials across 8 Mn-Si stoichiometries in 2.4 min, keeping 39 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 3 of which the database had not seen before. The leading generated candidate is Mn5Si in Cmmm (#65), which sits 20 meV/atom above the hull (new composition).

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GGen Mn-Si candidate: I4/m (#87), 41 meV/atom above the hull, -8.606 eV/atom, 10 atoms

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Size: 924 B
Type: .cif file
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Connections

1

Referenced by

Mn-Si: GGen structure exploration (4 near hull, 3 new)
GGen ran 40 trials across 8 Mn-Si stoichiometries in 2.4 min, keeping 39 relaxed structures. 4 of them landed within 150 meV/atom of the convex hull, 3 of which the database had not seen before. The leading generated candidate is Mn5Si in Cmmm (#65), which sits 20 meV/atom above the hull (new composition).

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Overview

Mn4Si (I4/m): GGen Mn-Si candidate, 41 meV/atom above the hull

Overview

Structure

Structure

Attribution

Connections

Referenced by

Available for this file

Stats

Connections

Referenced by

Available for this file

Data

Data