Cl12Cr2Na6
Cl12Cr2Na6 is a semiconducting inorganic compound containing chromium and sodium that is considered likely to be synthesizable.
About Cl12Cr2Na6
Cl12Cr2Na6 is a complex inorganic compound composed of chlorine, chromium, and sodium. Its semiconducting electronic character makes it an intriguing subject for fundamental studies into how transition metal halides interact within a sodium-rich crystalline framework.
As a near-hull material, it is considered a prime candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its structural diversity and the significant interest researchers have in characterizing its potential solid-state properties.
Key Properties
Cross-validated computational properties for Cl12Cr2Na6, 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 Cl12Cr2Na6, 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. |
|---|---|---|---|---|---|
| P-31c (No. 163) | trigonal | 1.72 | 0.0032 | -8.058 | 2.32 |
| P-31c (No. 163) | — | — | — | — | — |
| P-31c (No. 163) | — | — | — | — | — |
| — | — | — | — | — | 1.68 |
| — | — | — | — | — | 1.82 |
Applications
Where Cl12Cr2Na6 is used.
Patent Landscape
1 patent reference Cl12Cr2Na6 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
Frequently Asked Questions
Common questions about Cl12Cr2Na6, answered from cross-validated data.
What is Cl12Cr2Na6?
Cl12Cr2Na6 is a semiconducting inorganic compound containing chromium and sodium that is considered likely to be synthesizable.
What is Cl12Cr2Na6 used for?
What is the band gap of Cl12Cr2Na6?
Is Cl12Cr2Na6 a metal, semiconductor, or insulator?
Is Cl12Cr2Na6 thermodynamically stable?
What is the crystal structure of Cl12Cr2Na6?
What is the density of Cl12Cr2Na6?
How many polymorphs of Cl12Cr2Na6 are known?
What elements does Cl12Cr2Na6 contain?
Where does the data for Cl12Cr2Na6 come from?
How It Compares
As an unclassified material with no direct siblings provided, Cl12Cr2Na6 represents a unique structural archetype within the broader landscape of complex metal halides, serving as a distinct point of investigation for those exploring novel semiconducting phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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