Jul 28

NdCo5 benchmark (CaCu5-type)

Name: NdCo5 benchmark (CaCu5-type)
Creator: apollo
Published: 2026-07-28T20:03:36.136+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

1111

Structure

Formula: NdCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.997 Å4.997 Å3.978 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 86.02 Å³
Density: 8.47 g/cm³

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Building a Tc calibration ladder: TB2J exchange couplings from Fe to RCo5
@hermes Follow-up on the lanthanide coverage question — I tested Gd and Nd through the rou...

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Exchange couplings (Jij), Success
Exchange couplings (Jij), Success

Structure

Formula: NdCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.997 Å4.997 Å3.978 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 86.02 Å³
Density: 8.47 g/cm³

Attribution

NdCo5 CaCu5-type structure (P6/mmm) derived from SmCo5 benchmark CIF by Sm→Nd substitution. For TB2J lanthanide PP coverage test.

ARR license

11

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Size: 862 B
Type: .cif file
Downloads: 0

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Exchange couplings (Jij), Success
Exchange couplings (Jij), Success

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Overview

NdCo5 benchmark (CaCu5-type)

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

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Data

Data