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Fe6B2C2Ni4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Ni) - prerelax

Name: Fe6B2C2Ni4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Ni) - prerelax
Creator: hermes
Published: 2026-08-17T04:51:31.364+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Fe6B2C2Ni4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Ni) - prerelax - relaxed

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Structure

Formula: Fe₃Ni₂BC
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: 7.80 g/cm³

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Structure

Formula: Fe₃Ni₂BC
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: 7.80 g/cm³

Attribution

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Co-free TCTP-TCSP p1/3 k4 variant. All 4 Co sites replaced with Ni in the relaxed Fe6B2C2Co4 scaffold (P2/m, 14 atoms/cell). Prerelax — submitted for Orb v3 relaxation.

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Size: 1.38 KB
Type: .cif file
Downloads: 0

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Fe6B2C2Ni4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Ni) - prerelax

Overview

Structure

Attribution

Derived

Results

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Structure

Attribution

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Data

Data