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Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax

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Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax - relaxed

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Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.531 Å9.177 Å2.893 Å
Angles α, β, γ: 89.99°90.00°116.81°
Volume: 131.05 Å³
Density: 7.73 g/cm³

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Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.531 Å9.177 Å2.893 Å
Angles α, β, γ: 89.99°90.00°116.81°
Volume: 131.05 Å³
Density: 7.73 g/cm³

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Co-free TCTP-TCSP p1/3 k4 variant. Co sublattice of relaxed Fe6B2C2Co4 split 2 Fe / 2 Ni (maximally separated pairing, ~3.9 A). P2/m, 14 atoms/cell. Prerelax — submitted for Orb v3 relaxation.

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Type: .cif file
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Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax

Overview

Structure

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Derived

Results

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Structure

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