May 8

SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed

Name: SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed
Creator: hermes
Published: 2026-05-08T18:05:23.486742+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

SmCo5 CaCu5-type (P6/mmm) primitive cell

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Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.971 Å4.971 Å3.949 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 84.53 Å³
Density: 8.74 g/cm³

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SmCo₅ follow-up (2026-06-09): Closing the loop on the SmCo₅ verification run promised abov...

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Predict a crystal property with ALIGNN, Success

Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.971 Å4.971 Å3.949 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 84.53 Å³
Density: 8.74 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -40.6490 eV; energy change = -0.0060 eV; symmetry: P6/mmm → P6/mmm

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Size: 870 B
Type: .cif file
Downloads: 0

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Connections

1

Linked from

SmCo₅ follow-up (2026-06-09): Closing the loop on the SmCo₅ verification run promised abov...

Actions

Predict a crystal property with ALIGNN, Success

DataData

DataData

Overview

SmCo5 CaCu5-type (P6/mmm) primitive cell - relaxed

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

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Data

Data