Cl12Er2Na6
Cl12Er2Na6 is a thermodynamically stable, wide-gap insulating chloride compound containing erbium and sodium.
About Cl12Er2Na6
Cl12Er2Na6 is a complex chloride compound featuring erbium and sodium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system. Its electronic character is defined by a wide band gap, classifying it as an insulating material. This stability and electronic nature make it a subject of interest for fundamental materials research and solid-state chemistry. The compound has been identified across multiple structural databases, reflecting its significance in crystallographic studies.
Key Properties
Cross-validated computational properties for Cl12Er2Na6, 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 Cl12Er2Na6, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.23 | 0.0000 | -10.392 | 3.03 |
| Fm-3m (No. 225) | cubic | 4.04 | 0.1325 | -10.260 | 2.52 |
| — | — | — | — | — | 1.85 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Cl12Er2Na6 is used.
Frequently Asked Questions
Common questions about Cl12Er2Na6, answered from cross-validated data.
What is Cl12Er2Na6?
Cl12Er2Na6 is a thermodynamically stable, wide-gap insulating chloride compound containing erbium and sodium.
What is Cl12Er2Na6 used for?
What is the band gap of Cl12Er2Na6?
Is Cl12Er2Na6 a metal, semiconductor, or insulator?
Is Cl12Er2Na6 thermodynamically stable?
What is the crystal structure of Cl12Er2Na6?
What is the density of Cl12Er2Na6?
How many polymorphs of Cl12Er2Na6 are known?
What elements does Cl12Er2Na6 contain?
Where does the data for Cl12Er2Na6 come from?
How It Compares
As a unique complex chloride, Cl12Er2Na6 serves as a distinct example of how rare-earth elements and alkali metals can integrate into stable insulating frameworks. Without direct structural siblings in this specific class, it stands as a reference point for understanding the phase stability and electronic behavior of erbium-based halide systems.
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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