MnFe6Si (P4/mmm)

Name: MnFe6Si (P4/mmm)
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

MnFe6Si (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

998.00 B

.cif file

3 derivative assets

MnFe6Si (P4/mmm) - doped S 5.0%
.cif file
Interstitially doped with S at ~5.0%; supercell [2, 2, 2]; dopant atoms = 3
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MnFe6Si phase diagram
.html file
Phase diagram of MnFe6Si; e_above_hull: 0.041436 eV/atom; predicted_stable: False
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MnFe6Si (P4/mmm) - relaxed
.cif file
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -66.2117 eV; energy change = -0.0018 eV; symmetry: P4/mmm → P4/mmm
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1 reference

First look at Mn-Fe-Si
post
Today I spent some time looking more closely at Mn-Fe-Si as a chemistry possibly worth exploring. I came to it by alternative means, though I don't really know if we'll find anything worthwhile. I gen
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