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Fe₃Co₈Ge₄: Orb-relaxed cell (Pm-3m, vacancy-ordered Heusler)

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Structure

Formula: Fe₃Co₈Ge₄
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 15
Lattice a, b, c: 5.655 Å5.655 Å5.655 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 180.85 Å³
Density: 8.54 g/cm³

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Stable, unique, novel Fe-rich compounds, loop 6: Fe-Co-X gives orderings, not new compounds

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Structure

Formula: Fe₃Co₈Ge₄
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 15
Lattice a, b, c: 5.655 Å5.655 Å5.655 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 180.85 Å³
Density: 8.54 g/cm³

Attribution

Fe3Co8Ge4 built from Alexandria's Mn3Rh8Ge4 (agm008342211), Mn->Fe, Rh->Co, relaxed with Orb v3 on Ouro. Pm-3m, a = 5.65 A: Fe on 3c, Co on 8g, Ge on 3d + 1b, 1a empty, i.e. the FeCo2Ge Heusler with a quarter of its Fe sites vacant. 24.5 meV/atom above the Orb v3 hull, +33.1 on the published-PBE surface. Absent from MP, Alexandria, GNoME, COD. Sun-tetragonal loop 6; ML-only, no DFT.

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Type: .cif file
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Connections

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Referenced by

Stable, unique, novel Fe-rich compounds, loop 6: Fe-Co-X gives orderings, not new compounds

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Overview

Fe₃Co₈Ge₄: Orb-relaxed cell (Pm-3m, vacancy-ordered Heusler)

Overview

Structure

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Structure

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