Cl12Na2Sb2
Cl12Na2Sb2 is a stable, semiconducting inorganic compound composed of chlorine, sodium, and antimony.
About Cl12Na2Sb2
Cl12Na2Sb2 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of chlorine, sodium, and antimony atoms.
This material is of significant interest in solid-state chemistry due to its structural stability and distinct electronic behavior. Research into its various reported structures helps clarify its potential utility in advanced electronic and optoelectronic device architectures.
Key Properties
Cross-validated computational properties for Cl12Na2Sb2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cl12Na2Sb2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P42/m (No. 84) | tetragonal | 2.05 | 0.0000 | -9.378 | 2.70 |
| — | — | — | — | — | 2.07 |
| P42/m (No. 84) | — | — | — | — | — |
Applications
Where Cl12Na2Sb2 is used.
Frequently Asked Questions
Common questions about Cl12Na2Sb2, answered from cross-validated data.
What is Cl12Na2Sb2?
Cl12Na2Sb2 is a stable, semiconducting inorganic compound composed of chlorine, sodium, and antimony.
What is Cl12Na2Sb2 used for?
What is the band gap of Cl12Na2Sb2?
Is Cl12Na2Sb2 a metal, semiconductor, or insulator?
Is Cl12Na2Sb2 thermodynamically stable?
What is the crystal structure of Cl12Na2Sb2?
What is the density of Cl12Na2Sb2?
How many polymorphs of Cl12Na2Sb2 are known?
What elements does Cl12Na2Sb2 contain?
Where does the data for Cl12Na2Sb2 come from?
How It Compares
As a unique inorganic phase, Cl12Na2Sb2 occupies a distinct position in materials research. Without direct siblings in this specific chemical grouping, it serves as a foundational example of how complex halide-based systems can achieve thermodynamic stability while maintaining semiconducting properties.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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