Oct 1

Mn6Si2 (P4/mmm): GGen Mn-Si candidate, 73 meV/atom above the hull

Data Docs Logs

Overview

00

Structure

Formula: Mn₃Si
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Structure

Formula: Mn₃Si
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Lattice a, b, c

2.807 Å, 2.807 Å, 5.632 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

44.37 Å³

Density

7.22 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).

ActionsTools that work with this file

Available for this file

GGen Mn-Si candidate: P4/mmm (#123), 73 meV/atom above the hull, -8.445 eV/atom, 4 atoms

ARR license

0

Stats

Size: 870 B
Type: .cif file
Downloads: 0

47

Join to comment

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).

ActionsTools that work with this file

DataData

DataData

Overview

Mn6Si2 (P4/mmm): GGen Mn-Si candidate, 73 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