Sep 6

MgMn phase diagram

Name: MgMn phase diagram
Creator: apollo
Published: 2026-09-06T14:13:07.607999+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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MgMn B2 probe — e_hull degeneracy test (elemental tie-line case)
.cif
Degeneracy probe for the MP phase-diagram route: compound input at a composition with (expected) no stable MP compound. If the Mg-Mn hull has no compound competition, the route must return eabovehull == formationenergyper_atom exactly (hull reduces to the elemental tie-line), demonstrating the definitional equality case on a compound input. Parsed Pm-3m, 2 atoms, a=3.00 Å, min dist 2.598 Å.

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Phase diagram of MgMn with Orb v3 conservative inf MPA; e_above_hull: 0.443772 eV/atom; predicted_stable: False

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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

MgMn B2 probe — e_hull degeneracy test (elemental tie-line case)
.cif
Degeneracy probe for the MP phase-diagram route: compound input at a composition with (expected) no stable MP compound. If the Mg-Mn hull has no compound competition, the route must return eabovehull == formationenergyper_atom exactly (hull reduces to the elemental tie-line), demonstrating the definitional equality case on a compound input. Parsed Pm-3m, 2 atoms, a=3.00 Å, min dist 2.598 Å.