HgMg2Zn
This is a ternary intermetallic compound composed of mercury, magnesium, and zinc. It is primarily studied in the context of solid-state chemistry and materials science research regarding crystal structures.
HgMgZn
Overview
Key Properties
Cross-validated computational properties for HgMg2Zn, aggregated across 3 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.
0.25 eV
Range across DFT structures
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.
1.169 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HgMg2Zn, 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 | 0.25 | 1.1686 | -0.211 | 0.44 |
| Imm2 (No. 44) | — | — | — | — | — |
| — | — | — | — | — | 6.21 |
| — | — | — | — | — | 6.24 |
| — | — | — | — | — | 6.24 |
Uses
Applications
Where HgMg2Zn is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about HgMg2Zn, answered from cross-validated data.
What is HgMg2Zn?
This is a ternary intermetallic compound composed of mercury, magnesium, and zinc. It is primarily studied in the context of solid-state chemistry and materials science research regarding crystal structures.
More questions
What is HgMg2Zn used for?
HgMg2Zn is used in materials science research and solid-state chemistry studies.
What is the band gap of HgMg2Zn?
HgMg2Zn has a DFT-computed band gap of 0.25 eV across 5 reported structures.
Is HgMg2Zn a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is HgMg2Zn thermodynamically stable?
HgMg2Zn has a lowest energy above hull of 1.169 eV/atom (above hull).
What is the crystal structure of HgMg2Zn?
The lowest-energy reported polymorph of HgMg2Zn is orthorhombic symmetry, space group Immm (No. 71).
What is the density of HgMg2Zn?
The computed density of the ground-state structure of HgMg2Zn is 0.44 g/cm³.
How many polymorphs of HgMg2Zn are known?
5 structures of HgMg2Zn are reported across 3 databases, spanning 2 distinct space groups.
What elements does HgMg2Zn contain?
HgMg2Zn contains Hg, Mg, and Zn (3 elements).
Where does the data for HgMg2Zn come from?
HgMg2Zn data is cross-referenced from materials_project, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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