Cl2Er2Mo2O8
Cl2Er2Mo2O8 is a stable, semiconducting oxychloride molybdate compound characterized by its specific arrangement of rare-earth and transition metal elements.
About Cl2Er2Mo2O8
Cl2Er2Mo2O8 is a complex inorganic compound featuring a unique arrangement of erbium, molybdenum, chlorine, and oxygen. As a thermodynamically stable phase, it represents a robust structural configuration that sits on the convex hull, indicating significant chemical stability under standard conditions. Its semiconducting electronic character suggests potential utility in optoelectronic or sensing applications where controlled charge transport is required. The material is currently documented across multiple structural databases, highlighting its interest within the scientific community for further characterization. Its composition bridges the gap between halide chemistry and transition metal oxides, offering a versatile platform for exploring new electronic properties.
Key Properties
Cross-validated computational properties for Cl2Er2Mo2O8, 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 Cl2Er2Mo2O8, 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 | 2.71 | 0.0000 | -7.979 | 4.91 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 5.18 |
Applications
Where Cl2Er2Mo2O8 is used.
Frequently Asked Questions
Common questions about Cl2Er2Mo2O8, answered from cross-validated data.
What is Cl2Er2Mo2O8?
Cl2Er2Mo2O8 is a stable, semiconducting oxychloride molybdate compound characterized by its specific arrangement of rare-earth and transition metal elements.
What is Cl2Er2Mo2O8 used for?
What is the band gap of Cl2Er2Mo2O8?
Is Cl2Er2Mo2O8 a metal, semiconductor, or insulator?
Is Cl2Er2Mo2O8 thermodynamically stable?
What is the crystal structure of Cl2Er2Mo2O8?
What is the density of Cl2Er2Mo2O8?
How many polymorphs of Cl2Er2Mo2O8 are known?
What elements does Cl2Er2Mo2O8 contain?
Where does the data for Cl2Er2Mo2O8 come from?
How It Compares
As a specialized oxychloride molybdate, this compound occupies a distinct niche in solid-state chemistry. While it lacks direct structural siblings in this specific dataset, its stability and semiconducting nature position it as a noteworthy candidate for researchers investigating complex multi-anion systems that deviate from traditional oxide or halide frameworks.
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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