Cl18Mo2P2
Cl18Mo2P2 is a thermodynamically stable, semimetallic inorganic compound composed of chlorine, molybdenum, and phosphorus.
About Cl18Mo2P2
Cl18Mo2P2 is a complex inorganic compound characterized by its thermodynamically stable structure, positioning it securely on the convex hull. Its composition of chlorine, molybdenum, and phosphorus creates a unique chemical environment that supports its structural integrity across multiple reported configurations.
Functionally, this material exhibits a near-zero-gap electronic character, placing it in the semimetallic regime. This electronic behavior makes it an intriguing subject for research into materials that bridge the gap between traditional conductors and semiconductors, offering potential utility in specialized electronic or catalytic applications.
Key Properties
Cross-validated computational properties for Cl18Mo2P2, 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 Cl18Mo2P2, 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-1 (No. 2) | triclinic | 0.02 | 0.0000 | -9.083 | 2.52 |
| — | — | — | — | — | 1.69 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Cl18Mo2P2 is used.
Frequently Asked Questions
Common questions about Cl18Mo2P2, answered from cross-validated data.
What is Cl18Mo2P2?
Cl18Mo2P2 is a thermodynamically stable, semimetallic inorganic compound composed of chlorine, molybdenum, and phosphorus.
What is Cl18Mo2P2 used for?
What is the band gap of Cl18Mo2P2?
Is Cl18Mo2P2 a metal, semiconductor, or insulator?
Is Cl18Mo2P2 thermodynamically stable?
What is the crystal structure of Cl18Mo2P2?
What is the density of Cl18Mo2P2?
How many polymorphs of Cl18Mo2P2 are known?
What elements does Cl18Mo2P2 contain?
Where does the data for Cl18Mo2P2 come from?
How It Compares
As a distinct inorganic phase, Cl18Mo2P2 represents a specialized structural arrangement within its chemical system. Without direct structural siblings in this specific class, it stands as a unique reference point for understanding how molybdenum-phosphorus-chloride frameworks maintain stability while exhibiting semimetallic electronic properties.
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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