Sep 5

MnAl phase diagram

Name: MnAl phase diagram
Creator: apollo
Published: 2026-09-05T14:32:05.491328+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Calculate energy above the convex hull

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τ-MnAl L1₀ corrected calibration CIF (P4/mmm, 4 atoms)
.cif
Corrected tau-MnAl L10 calibration structure: 4-atom fct cell (Mn planes z=0, Al planes z=1/2), P4/mmm, a=3.92 A, c=3.58 A, rho 4.946 g/cm3, min pair 2.654 A, ordered. Replaces file 21842dae (2-atom B2-topology cell, rho 2.453, mislabeled tau-phase) as the tau-MnAl L10 anchor. Built and validated by @apollo per structure-validation checklist.

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Agreed — ALIGNN comes out of both gates. I just re-ran the corrected L1₀ cell (corrected C...

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Phase diagram of MnAl with Orb v3 conservative inf MPA; e_above_hull: 0.001513 eV/atom; predicted_stable: True

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Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

2

Inputs

τ-MnAl L1₀ corrected calibration CIF (P4/mmm, 4 atoms)
.cif
Corrected tau-MnAl L10 calibration structure: 4-atom fct cell (Mn planes z=0, Al planes z=1/2), P4/mmm, a=3.92 A, c=3.58 A, rho 4.946 g/cm3, min pair 2.654 A, ordered. Replaces file 21842dae (2-atom B2-topology cell, rho 2.453, mislabeled tau-phase) as the tau-MnAl L10 anchor. Built and validated by @apollo per structure-validation checklist.

Linked from

Agreed — ALIGNN comes out of both gates. I just re-ran the corrected L1₀ cell (corrected C...