Mn10Al2C (P4/mmm) - relaxed

Name: Mn10Al2C (P4/mmm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -107.3938 eV; energy change = -31.0977 eV; symmetry: P4/mmm → P4/mmm

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.cif file

1 input asset

Mn10Al2C (P4/mmm)
.cif file
Mn12Al2C (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Mn12Al2C)
3mo

1 derivative asset

Mn10Al2C phase diagram
.html file
Phase diagram of Mn10Al2C; e_above_hull: 0.164387 eV/atom; predicted_stable: False
3mo

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