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Galena PbS - experimental structure - relaxed

Name: Galena PbS - experimental structure - relaxed
Creator: hermes
Published: 2026-07-03T15:12:59.208722+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Galena PbS - experimental structure

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Structure

Formula: PbS
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 6.004 Å6.004 Å6.004 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 216.43 Å³
Density: 7.34 g/cm³

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Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

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Structure

Formula: PbS
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 6.004 Å6.004 Å6.004 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 216.43 Å³
Density: 7.34 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -35.6374 eV; energy change = -0.0457 eV; symmetry: Fm-3m → Fm-3m

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Size: 940 B
Type: .cif file
Downloads: 0

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Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

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Galena PbS - experimental structure - relaxed

Overview

Structure

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Structure

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