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NaCl (Fm-3m): Matra-Genoa structure (on hull) 3

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Result of · via Explore a chemical system with Matra-Genoa and build its phase diagram

Cl-Na: Matra-Genoa phase diagram (1 near hull, 0 new)

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Structure

Formula: NaCl
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 5.701 Å5.701 Å5.701 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 185.27 Å³
Density: 2.10 g/cm³

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Structure

Formula: NaCl
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 5.701 Å5.701 Å5.701 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 185.27 Å³
Density: 2.10 g/cm³

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The structure closest to the Cl-Na convex hull from a Matra-Genoa explore, relaxed with ORB v3 via TorchSim: NaCl in Fm-3m (#225), on the convex hull. Novelty: reference. Model-generated; not DFT-validated. Generated with Matra-Genoa (De Breuck et al., npj Comput. Mater. 12, 60 (2026), doi:10.1038/s41524-025-01940-8) and relaxed with Orb-v3 (arXiv:2504.06231) via TorchSim (doi:10.1088/3050-287X/ae1799).

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Size: 5.22 KB
Type: .cif file
Downloads: 0

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NaCl (Fm-3m): Matra-Genoa structure (on hull) 3

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