Cl1Mg1O3
Cl1Mg1O3 is a wide-band-gap insulating inorganic compound that exists in a metastable state.
About Cl1Mg1O3
Cl1Mg1O3 is an inorganic compound characterized by its insulating electronic nature. As a wide-band-gap material, it exhibits limited electrical conductivity, making it a subject of interest for fundamental studies in solid-state chemistry and materials research.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures highlights the complexity of its phase landscape and the ongoing efforts to characterize its structural behavior under various conditions.
Key Properties
Cross-validated computational properties for Cl1Mg1O3, 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 Cl1Mg1O3, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.5939 | -4.327 | 2.02 |
| C2/m (No. 12) | monoclinic | 4.65 | 0.9181 | -4.003 | 1.27 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.93 |
Frequently Asked Questions
Common questions about Cl1Mg1O3, answered from cross-validated data.
What is Cl1Mg1O3?
Cl1Mg1O3 is a wide-band-gap insulating inorganic compound that exists in a metastable state.
What is the band gap of Cl1Mg1O3?
Is Cl1Mg1O3 a metal, semiconductor, or insulator?
Is Cl1Mg1O3 thermodynamically stable?
What is the crystal structure of Cl1Mg1O3?
What is the density of Cl1Mg1O3?
How many polymorphs of Cl1Mg1O3 are known?
What elements does Cl1Mg1O3 contain?
Where does the data for Cl1Mg1O3 come from?
How It Compares
As a unique inorganic phase, Cl1Mg1O3 occupies a distinct position within the broader landscape of magnesium-chlorine-oxygen systems. Without direct structural siblings in this specific class, it serves as a critical reference point for understanding the stability limits and synthesis challenges inherent in these types of complex oxychlorides.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Cl1Mg1O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →