Ca1Hg2Pb1
Ca1Hg2Pb1 is a semiconducting ternary intermetallic compound containing calcium, mercury, and lead.
About Ca1Hg2Pb1
Ca1Hg2Pb1 is a ternary intermetallic compound composed of calcium, mercury, and lead. It exhibits semiconducting electronic behavior, positioning it as a unique candidate for specialized studies in solid-state physics where specific electronic band structures are required for potential device integration.
Due to its position above the thermodynamic hull, this material is considered metastable, which presents challenges for synthesis and long-term structural integrity. Its existence within a diverse landscape of reported structural configurations highlights the complex bonding interactions between alkaline earth, transition, and post-transition elements.
Key Properties
Cross-validated computational properties for Ca1Hg2Pb1, 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 Ca1Hg2Pb1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.30 | 1.2132 | -0.730 | 0.80 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ca1Hg2Pb1, answered from cross-validated data.
What is Ca1Hg2Pb1?
Ca1Hg2Pb1 is a semiconducting ternary intermetallic compound containing calcium, mercury, and lead.
What is the band gap of Ca1Hg2Pb1?
Is Ca1Hg2Pb1 a metal, semiconductor, or insulator?
Is Ca1Hg2Pb1 thermodynamically stable?
What is the crystal structure of Ca1Hg2Pb1?
What is the density of Ca1Hg2Pb1?
How many polymorphs of Ca1Hg2Pb1 are known?
What elements does Ca1Hg2Pb1 contain?
Where does the data for Ca1Hg2Pb1 come from?
How It Compares
As a ternary intermetallic phase, Ca1Hg2Pb1 represents a complex structural arrangement that distinguishes it from simpler binary alloys. Its specific combination of elements allows for a distinct electronic character that is rarely achieved in more common, highly stable intermetallic systems.
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).
Analyze Ca1Hg2Pb1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →