Cl2Mg2O8
Cl2Mg2O8 is a thermodynamically stable, insulating ternary compound composed of magnesium, chlorine, and oxygen.
About Cl2Mg2O8
Cl2Mg2O8 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of chlorine, magnesium, and oxygen atoms. Its stability suggests potential for long-term durability in specialized chemical environments where insulating properties are required. The material remains a subject of interest for researchers investigating the interplay between halogen-containing oxides and their structural stability. Given its status as a stable phase, it serves as a foundational building block for exploring complex ternary systems involving magnesium and chlorine.
Key Properties
Cross-validated computational properties for Cl2Mg2O8, 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 Cl2Mg2O8, 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 | 5.27 | 0.0000 | -5.002 | 2.69 |
| — | — | — | — | — | 2.40 |
| No. 0 | unknown | — | — | — | 0.73 |
Frequently Asked Questions
Common questions about Cl2Mg2O8, answered from cross-validated data.
What is Cl2Mg2O8?
Cl2Mg2O8 is a thermodynamically stable, insulating ternary compound composed of magnesium, chlorine, and oxygen.
What is the band gap of Cl2Mg2O8?
Is Cl2Mg2O8 a metal, semiconductor, or insulator?
Is Cl2Mg2O8 thermodynamically stable?
What is the crystal structure of Cl2Mg2O8?
What is the density of Cl2Mg2O8?
How many polymorphs of Cl2Mg2O8 are known?
What elements does Cl2Mg2O8 contain?
Where does the data for Cl2Mg2O8 come from?
How It Compares
As a unique ternary phase, Cl2Mg2O8 occupies a distinct position within its chemical system, serving as a stable reference point for magnesium-based oxychlorides. Unlike more transient or metastable phases, its presence on the convex hull indicates a high degree of structural integrity, making it a primary candidate for experimental synthesis and characterization in studies of magnesium-oxygen-chlorine chemistry.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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