Oct 1

Mn5Si (Cmmm): GGen Mn-Si candidate, 20 meV/atom above the hull

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Overview

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Structure

Formula: Mn₅Si
Space group: Cmmm (65)
Crystal system: Orthorhombic
Atoms per cell: 6

Structure

Formula: Mn₅Si
Space group: Cmmm (65)
Crystal system: Orthorhombic
Atoms per cell: 6

Lattice a, b, c

3.820 Å, 3.844 Å, 4.923 Å

Angles α, β, γ

112.98°, 90.00°, 90.00°

Volume

66.55 Å³

Density

7.55 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: Cmmm (#65), 20 meV/atom above the hull, -8.713 eV/atom, 12 atoms

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Size: 979 B
Type: .cif file
Downloads: 0

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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

Mn5Si (Cmmm): GGen Mn-Si candidate, 20 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