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Fe₉CoB₆: Orb-relaxed cell (I4/m, Cr₅B₃ type)

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Structure

Formula: Fe₉CoB₆
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 32
Lattice a, b, c: 5.313 Å5.313 Å9.985 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 281.84 Å³
Density: 7.38 g/cm³

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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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Structure

Formula: Fe₉CoB₆
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 32
Lattice a, b, c: 5.313 Å5.313 Å9.985 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 281.84 Å³
Density: 7.38 g/cm³

Attribution

Fe9CoB6 built from Cr9FeB6 (mp-1226337), Cr->Fe, Fe->Co, relaxed with Orb v3 on Ouro. I4/m, an Fe/Co ordering of the Cr5B3 type ((Fe,Co)5B3). 27.3 meV/atom above the Orb v3 hull, +31.9 on the published-PBE surface (decomposes to Fe2B + FeB + CoB). Absent from MP, Alexandria, GNoME, COD. Sun-tetragonal loop 6; ML-only, no DFT.

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Size: 2.27 KB
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

Fe₉CoB₆: Orb-relaxed cell (I4/m, Cr₅B₃ type)

Overview

Structure

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Referenced by

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Structure

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Referenced by

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Data

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