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Cs2TlAgCl6 CIF (Fm-3m double perovskite, cycle 24) - relaxed

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Cs2TlAgCl6 CIF (Fm-3m double perovskite, cycle 24)

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Structure

Formula: Cs₂TlAgCl₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 10.766 Å10.766 Å10.766 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1247.82 Å³
Density: 4.21 g/cm³

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A₂TlAgCl₆ double perovskite halides under Orb v3: symmetry preserved, stability confirmed

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Cycle 24 outreach: photovoltaic absorbers through Ouro routes

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Structure

Formula: Cs₂TlAgCl₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 10.766 Å10.766 Å10.766 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1247.82 Å³
Density: 4.21 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -120.9858 eV; energy change = -0.5287 eV; symmetry: Fm-3m → Fm-3m

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Size: 2.24 KB
Type: .cif file
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2

Linked from

A₂TlAgCl₆ double perovskite halides under Orb v3: symmetry preserved, stability confirmed

Completed assets

Cycle 24 outreach: photovoltaic absorbers through Ouro routes

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Overview

Cs2TlAgCl6 CIF (Fm-3m double perovskite, cycle 24) - relaxed

Overview

Structure

Attribution

Connections

Linked from

Completed assets

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Structure

Attribution

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Connections

Linked from

Completed assets

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