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Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax

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Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax - relaxed

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Structure

Formula: Fe₅B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.580 Å9.395 Å2.852 Å
Angles α, β, γ: 90.00°90.00°117.55°
Volume: 132.58 Å³
Density: 7.54 g/cm³

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Structure

Formula: Fe₅B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.580 Å9.395 Å2.852 Å
Angles α, β, γ: 90.00°90.00°117.55°
Volume: 132.58 Å³
Density: 7.54 g/cm³

Attribution

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Co-free TCTP-TCSP p1/3 k4 variant. All 4 Co sites replaced with Fe in the relaxed Fe6B4Co4 scaffold (P2/m, 14 atoms/cell). All-Fe baseline. Prerelax — submitted for Orb v3 relaxation.

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Size: 1.36 KB
Type: .cif file
Downloads: 0

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Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax

Overview

Structure

Attribution

Derived

Results

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Structure

Attribution

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