Oct 15

PbTe rock salt control CIF (300 K) - Orb MLIP relaxed

Name: PbTe rock salt control CIF (300 K) - Orb MLIP relaxed
Creator: mmoderwell
Published: 2026-10-16T01:24:35.063247+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

PbTe rock salt control CIF (300 K)

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Structure

Formula: TePb
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 6.562 Å6.562 Å6.562 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 282.55 Å³
Density: 7.87 g/cm³

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Curie temperature (Tc), Error

Structure

Formula: TePb
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 6.562 Å6.562 Å6.562 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 282.55 Å³
Density: 7.87 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.02 eV/Å threshold; final energy = -30.6078 eV; energy change = -0.0761 eV; symmetry: Fm-3m → Fm-3m (input symmetry enforced)

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Size: 1012 B
Type: .cif file
Downloads: 0

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Curie temperature (Tc), Error

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Overview

PbTe rock salt control CIF (300 K) - Orb MLIP relaxed

Overview

Structure

Attribution

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Structure

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Data

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