Hg1P2Si1
Hg1P2Si1 is a metastable semiconducting compound composed of mercury, phosphorus, and silicon.
About Hg1P2Si1
Hg1P2Si1 is a complex ternary compound composed of mercury, phosphorus, and silicon. As a semiconducting material, it exhibits electronic characteristics that make it a subject of interest for researchers investigating specialized solid-state systems.
Despite its metastable nature, the compound has been documented across multiple structural configurations. Its existence highlights the intricate bonding possibilities between group twelve, fifteen, and fourteen elements, providing a unique case study for structural phase stability.
Key Properties
Cross-validated computational properties for Hg1P2Si1, aggregated across 2 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 Hg1P2Si1, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.02 | 0.0425 | -19.101 | 5.55 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.8561 | -18.287 | 6.80 |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg1P2Si1, answered from cross-validated data.
What is Hg1P2Si1?
Hg1P2Si1 is a metastable semiconducting compound composed of mercury, phosphorus, and silicon.
What is the band gap of Hg1P2Si1?
Is Hg1P2Si1 a metal, semiconductor, or insulator?
Is Hg1P2Si1 thermodynamically stable?
What is the crystal structure of Hg1P2Si1?
What is the density of Hg1P2Si1?
How many polymorphs of Hg1P2Si1 are known?
What elements does Hg1P2Si1 contain?
Where does the data for Hg1P2Si1 come from?
How It Compares
As a singular entry in this specific compositional space, Hg1P2Si1 serves as a foundational reference point for understanding the interplay of mercury, phosphorus, and silicon. It represents a distinct structural arrangement that challenges conventional stability expectations within this ternary system.
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).
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