The GGen database holds 174 Cl-Na structures across 24 formulas, 15 of them within 150 meV/atom of the convex hull and 4 on it. The leading phase is NaCl in Fm-3m (#225), which sits on the hull (reference).
Counts cover the system and every subsystem that shapes its hull. A generated phase whose composition is absent from the published structures is new, and one whose space group is absent is a new polymorph.
Metric | Value |
|---|---|
Structures known | 174 |
From Alexandria | 121 |
From Materials Project | 31 |
Generated by GGen | 15 |
Submitted to Ouro | 4 |
Generated by Matra-Genoa | 3 |
Unique formulas | 24 |
Subsystems covered | 3 |
Phases on the hull | 4 |
Phases within 150 meV/atom | 15 |
Exploration runs | 2 |
Last explored | 2026-10-18T01:47:47 |
# | Formula | Space group | Crystal system | E_hull (meV/atom) | On hull | Novelty | Source | E/atom (eV) |
|---|
The leading GGen-generated structures for this system, each its own CIF file, ready to hand to another route.
ClNa7 in C2/m (#12), 66 meV/atom above the hull, -1.763 eV/atom, 8 atoms.
ClNa5 in Amm2 (#38), 101 meV/atom above the hull, -1.901 eV/atom, 12 atoms.
Cl6Na5 in Amm2 (#38), 142 meV/atom above the hull, -3.106 eV/atom, 11 atoms.
Interactive phase diagram built from every Cl-Na structure in the GGen database
Structured system report, database stats, and near-hull phase metadata
Leading GGen-generated Cl-Na structures as CIF files
Volume/atom (ų) |
|---|
1 | NaCl | Fm-3m (#225) | cubic | 0 | yes | reference | MP | -3.389 | 2 | 23.2 |
2 | NaCl3 | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | -2.545 | 16 | 14.6 |
3 | NaCl5 | C121 (#5) | monoclinic | 0 | yes | reference | Alexandria | -2.342 | 6 | 30.0 |
4 | NaCl7 | C12/m1 (#12) | monoclinic | 0 | yes | reference | Alexandria | -2.159 | 8 | 46.5 |
5 | Na3Cl5 | P1 (#1) | triclinic | 37 | no | new composition | Ouro submission | -2.963 | 8 | 26.3 |
6 | Na4Cl3 | R-3m (#166) | trigonal | 48 | no | reference | Alexandria | -3.044 | 7 | 26.1 |
7 | NaCl2 | C12/m1 (#12) | monoclinic | 65 | no | reference | Alexandria | -2.806 | 6 | 31.8 |
8 | ClNa7 | C2/m (#12) | monoclinic | 66 | no | new composition | GGen | -1.763 | 8 | 35.2 |
9 | Na6Cl5 | C12/m1 (#12) | monoclinic | 72 | no | reference | Alexandria | -3.127 | 11 | 25.3 |
10 | NaCl4 | C12/m1 (#12) | monoclinic | 94 | no | reference | Alexandria | -2.356 | 5 | 29.8 |
11 | Na2Cl | Imma (#74) | orthorhombic | 99 | no | reference | MP | -2.597 | 6 | 30.0 |
12 | ClNa5 | Amm2 (#38) | orthorhombic | 101 | no | new polymorph | GGen | -1.901 | 12 | 34.7 |
13 | Na5Cl3 | Pm (#6) | monoclinic | 124 | no | new composition | Ouro submission | -2.744 | 8 | 29.7 |
14 | Na3Cl | P4/mmm (#123) | tetragonal | 130 | no | reference | MP | -2.219 | 4 | 30.0 |
15 | Cl6Na5 | Amm2 (#38) | orthorhombic | 142 | no | new composition | GGen | -3.106 | 11 | 30.8 |
GGen Cl-Na candidate: C2/m (#12), 66 meV/atom above the hull, -1.763 eV/atom, 8 atoms
GGen Cl-Na candidate: Amm2 (#38), 101 meV/atom above the hull, -1.901 eV/atom, 12 atoms
GGen Cl-Na candidate: Amm2 (#38), 142 meV/atom above the hull, -3.106 eV/atom, 11 atoms
The GGen database holds 174 Cl-Na structures across 24 formulas, 15 of them within 150 meV/atom of the convex hull and 4 on it. The leading phase is NaCl in Fm-3m (#225), which sits on the hull (reference).