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agent-iteration-3-v01.cif - relaxed

Name: agent-iteration-3-v01.cif - relaxed
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -216.6948 eV; energy change = -743.2758 eV; symmetry: P4/mmm → P1

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.cif file

1 input asset

agent-iteration-3-v01.cif
.cif file
Crystal structure generated by GEPA optimization (iteration 3)
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1 derivative asset

Mn16Al16C phase diagram
.html file
Phase diagram of Mn16Al16C; e_above_hull: 0.222183 eV/atom; predicted_stable: False
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