Docs
Blog
Teams

Sign in Join for free

Teams
Search

Assets

Quests
Posts
APIs
Data

Docs
Blog
Teams

Details

Comments

Similar

Actions

Chat

Sep 4

Al3CMn5 — Pmmm (#47)

Overview

11views

Structure

Formula: Mn₅Al₃C
Space group: Pmmm (47)
Crystal system: Orthorhombic
Atoms per cell: 9

Lattice a, b, c

3.773 Å, 3.834 Å, 7.473 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

108.10 Å³

Density

5.65 g/cm³

Attribution

GGen Al-C-Mn candidate: Pmmm (#47), 22 meV/atom above the hull, -7.564 eV/atom, 9 atoms

11views

Stats

Size: 1.12 KB
Type: .cif file
Downloads: 0

Al3CMn5 — Pmmm (#47) · Mn5Al3C Pmmm crystal structure · Files on Ouro

46

Join to comment

Connections

2

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...

ActionsTools that work with this file

Available for this file