Cu2Hg1Sc1
Cu2Hg1Sc1 is a semiconducting ternary intermetallic compound characterized by a high degree of structural complexity.
About Cu2Hg1Sc1
Cu2Hg1Sc1 is a ternary compound composed of copper, mercury, and scandium. It exhibits semiconducting electronic character, positioning it as an interesting subject for fundamental research into complex intermetallic systems. Given its position relative to the thermodynamic hull, this material is considered likely unstable under standard conditions. Despite this, it has been the subject of significant structural investigation, with numerous reported configurations documented across materials databases.
Key Properties
Cross-validated computational properties for Cu2Hg1Sc1, 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 Cu2Hg1Sc1, 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 | 0.82 | 1.7625 | -19.136 | 0.87 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu2Hg1Sc1, answered from cross-validated data.
What is Cu2Hg1Sc1?
Cu2Hg1Sc1 is a semiconducting ternary intermetallic compound characterized by a high degree of structural complexity.
What is the band gap of Cu2Hg1Sc1?
Is Cu2Hg1Sc1 a metal, semiconductor, or insulator?
Is Cu2Hg1Sc1 thermodynamically stable?
What is the crystal structure of Cu2Hg1Sc1?
What is the density of Cu2Hg1Sc1?
How many polymorphs of Cu2Hg1Sc1 are known?
What elements does Cu2Hg1Sc1 contain?
Where does the data for Cu2Hg1Sc1 come from?
How It Compares
As a unique ternary phase, Cu2Hg1Sc1 represents a distinct structural arrangement within the broader landscape of copper-mercury-scandium materials, serving as a focal point for understanding the phase stability and structural diversity of complex intermetallics.
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 Cu2Hg1Sc1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →