Sep 6

GGen Mn4Al4C — standard I4/mmm conventional cell (tI18, Wyckoff-decoded)

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Overview

99

Structure

Formula: Mn₄Al₄C
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 18

Structure

Formula: Mn₄Al₄C
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 18

Lattice a, b, c

3.783 Å, 3.783 Å, 15.615 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

223.51 Å³

Density

5.05 g/cm³

Attribution

Connections

4

Derived assets

Mn4Al4C phase diagram
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Phase diagram of Mn4Al4C with Orb v3 conservative inf MPA; eabovehull: 0.045356 eV/atom; predicted_stable: False

Referenced by

What is GGen's I4/mmm Mn₄Al₄C? Structure-type identification: novel Sr₂Mn₃As₂O₂-topology decoration
Structure-type identification of the GGen-generated Mn4Al4C: novel Sr2Mn3As2O2-topology decoration, not a documented compound

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Standard I4/mmm conventional cell (tI18, a=3.7834 A, c=15.6147 A, Z=2) of the GGen-generated Mn4Al4C structure, symmetrized with spglib (holds to symprec 0.001). Wyckoff sites: C 2a (0,0,0); Mn 4c (0,1/2,0) + 4e (0,0,0.129); Al 4d (0,1/2,1/4) + 4e (0,0,0.387). Site set {2a,4c,4d,4e,4e} = Sr2Mn3As2O2-type skeleton. Curiosity-window identification from the prototype-substitution project.

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