ErHg
ErHg is a stable metallic intermetallic compound formed from erbium and mercury.
About ErHg
ErHg is a binary intermetallic compound composed of erbium and mercury. As a metallic phase, it exhibits characteristic electronic conductivity and is recognized for its thermodynamic stability, sitting directly on the convex hull of its constituent elements. Its structural diversity is well-documented, with numerous reported configurations across multiple materials databases. This stability makes it a significant subject for understanding rare-earth mercury interactions and phase formation in metallic systems. Its role is primarily foundational, serving as a key model for studying the interplay between heavy lanthanides and group twelve elements in crystalline lattices.
Key Properties
Cross-validated computational properties for ErHg, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ErHg. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for ErHg, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -42.210 | 12.46 |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 12.61 |
| No. 0 | unknown | — | — | — | 8.93 |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.29 |
| F-43m (No. 216) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.33 |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.08 |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about ErHg, answered from cross-validated data.
What is ErHg?
ErHg is a stable metallic intermetallic compound formed from erbium and mercury.
What is the band gap of ErHg?
Is ErHg a metal, semiconductor, or insulator?
Is ErHg thermodynamically stable?
What is the crystal structure of ErHg?
What is the density of ErHg?
How many polymorphs of ErHg are known?
What elements does ErHg contain?
Where does the data for ErHg come from?
How It Compares
As a binary intermetallic, ErHg represents a stable point in the landscape of rare-earth mercury systems. Without direct structural siblings provided for comparison, it serves as a representative example of how erbium integrates with mercury to form a reliable, thermodynamically favored metallic structure.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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