Sep 24

Fe12BW4 phase diagram 2

Name: Fe12BW4 phase diagram 2
Creator: mmoderwell
Published: 2026-09-25T02:19:33.193794+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Created by route

Calculate energy above the convex hull

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Attribution

Connections

2

Inputs

BFe12W4 (P4/mmm)
.cif
73 meV above the hull

Referenced by

Fe22B6W (mp-1224794) is in the wrong magnetic state in Materials Project
MP's GGA run for Fe22B6W is nearly non-magnetic. Spin-polarized DFT on MP's own geometry puts the ferromagnetic state 211 meV/atom lower, more than the 148 meV/atom that keeps it off the hull.

Attribution

ARR license

Phase diagram of Fe12BW4 with Orb v3 conservative inf MPA; e_above_hull: 0.103858 eV/atom; predicted_stable: False

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Size: 17.24 KB
Type: phase diagram file
Downloads: 0

Connections

2

Inputs

BFe12W4 (P4/mmm)
.cif
73 meV above the hull

Referenced by

Fe22B6W (mp-1224794) is in the wrong magnetic state in Materials Project
MP's GGA run for Fe22B6W is nearly non-magnetic. Spin-polarized DFT on MP's own geometry puts the ferromagnetic state 211 meV/atom lower, more than the 148 meV/atom that keeps it off the hull.

Created by route

Calculate energy above the convex hull