Sep 24

TiBiPd phase diagram

Name: TiBiPd phase diagram
Creator: mmoderwell
Published: 2026-09-25T02:12:31.902577+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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TiPdBi half-Heusler CIF - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -70.8558 eV; energy change = -0.2780 eV; symmetry: F-43m → F-43m

Referenced by

A phase diagram viewer that explains itself
Hover anywhere to see what forms, read the decomposition reaction, and cut straight lines through hulls of any size.

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ARR license

Phase diagram of TiBiPd with Orb v3 conservative inf MPA; e_above_hull: 0.127863 eV/atom; predicted_stable: False

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Size: 9.66 KB
Type: phase diagram file
Downloads: 0

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Created by route

Calculate energy above the convex hull

Connections

2

Inputs

TiPdBi half-Heusler CIF - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -70.8558 eV; energy change = -0.2780 eV; symmetry: F-43m → F-43m

Referenced by

A phase diagram viewer that explains itself
Hover anywhere to see what forms, read the decomposition reaction, and cut straight lines through hulls of any size.