Hg1Os1Sc2
Hg1Os1Sc2 is a semimetallic ternary intermetallic compound containing mercury, osmium, and scandium that is primarily studied for its complex structural behavior.
About Hg1Os1Sc2
Hg1Os1Sc2 is a complex ternary intermetallic compound composed of mercury, osmium, and scandium. It is characterized by a near-zero-gap electronic structure, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators.
Due to its position above the thermodynamic hull, this compound is considered metastable, which presents significant challenges for experimental synthesis. Its structural complexity is highlighted by the numerous configurations reported in materials databases, making it a subject of interest for theoretical studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for Hg1Os1Sc2, 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 Hg1Os1Sc2, 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 | 0.05 | 2.5700 | -3.882 | 0.64 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg1Os1Sc2, answered from cross-validated data.
What is Hg1Os1Sc2?
Hg1Os1Sc2 is a semimetallic ternary intermetallic compound containing mercury, osmium, and scandium that is primarily studied for its complex structural behavior.
What is the band gap of Hg1Os1Sc2?
Is Hg1Os1Sc2 a metal, semiconductor, or insulator?
Is Hg1Os1Sc2 thermodynamically stable?
What is the crystal structure of Hg1Os1Sc2?
What is the density of Hg1Os1Sc2?
How many polymorphs of Hg1Os1Sc2 are known?
What elements does Hg1Os1Sc2 contain?
Where does the data for Hg1Os1Sc2 come from?
How It Compares
As a unique ternary phase, Hg1Os1Sc2 represents an unconventional combination of heavy transition metals and rare-earth elements, occupying a niche space in materials science where thermodynamic stability is often secondary to exploring exotic electronic states.
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 Hg1Os1Sc2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →