Cl2Hg4P6
Cl2Hg4P6 is a thermodynamically stable semiconducting material composed of chlorine, mercury, and phosphorus.
About Cl2Hg4P6
Cl2Hg4P6 is a complex inorganic compound composed of chlorine, mercury, and phosphorus. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that has been identified across multiple independent crystallographic studies.
This compound exhibits semiconducting electronic character, making it a subject of interest for fundamental materials research. Its specific elemental combination allows for distinct bonding environments that differentiate it from simpler binary phosphides or halides.
Key Properties
Cross-validated computational properties for Cl2Hg4P6, 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 Cl2Hg4P6, 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/c (No. 15) | monoclinic | 1.13 | 0.0000 | -22.229 | 6.56 |
| — | — | — | — | — | 6.38 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl2Hg4P6, answered from cross-validated data.
What is Cl2Hg4P6?
Cl2Hg4P6 is a thermodynamically stable semiconducting material composed of chlorine, mercury, and phosphorus.
What is the band gap of Cl2Hg4P6?
Is Cl2Hg4P6 a metal, semiconductor, or insulator?
Is Cl2Hg4P6 thermodynamically stable?
What is the crystal structure of Cl2Hg4P6?
What is the density of Cl2Hg4P6?
How many polymorphs of Cl2Hg4P6 are known?
What elements does Cl2Hg4P6 contain?
Where does the data for Cl2Hg4P6 come from?
How It Compares
As a unique ternary phase, Cl2Hg4P6 occupies a distinct position in materials science, representing a stable configuration that bridges the gap between mercury-phosphorus frameworks and halogen-containing coordination environments.
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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