inOct 17

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

Data Docs Logs

Overview

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

Cl-Na: Matra-Genoa phase diagram (2 near hull, 0 new)

66

Structure

Formula: NaCl
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 5.689 Å5.689 Å5.689 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 184.13 Å³
Density: 2.11 g/cm³

Attribution

Actions

Structure

Formula: NaCl
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 8
Lattice a, b, c: 5.689 Å5.689 Å5.689 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 184.13 Å³
Density: 2.11 g/cm³

Attribution

ARR license

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).

6

Stats

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

50

Join to comment

DataData

DataData

Overview

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

Overview

Structure

Attribution

Actions

Structure

Attribution

Stats

Actions

Data

Data