Hf1Mg1Zn2
Hf1Mg1Zn2 is a semiconducting ternary compound consisting of hafnium, magnesium, and zinc that is currently studied for its structural complexity.
About Hf1Mg1Zn2
Hf1Mg1Zn2 is a complex ternary compound composed of hafnium, magnesium, and zinc. As a semiconducting material, it represents an interesting intersection of transition metal and alkaline earth chemistry, though current data suggests it sits in a metastable state relative to its constituent elements.
Given its position above the thermodynamic hull, the compound is primarily of interest to researchers studying phase stability and synthetic pathways for complex intermetallics. Its structural diversity is highlighted by a significant number of reported configurations within materials databases.
Key Properties
Cross-validated computational properties for Hf1Mg1Zn2, 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 Hf1Mg1Zn2, 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 | 0.27 | 2.2554 | -1.438 | 0.56 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Hf1Mg1Zn2 is used.
Frequently Asked Questions
Common questions about Hf1Mg1Zn2, answered from cross-validated data.
What is Hf1Mg1Zn2?
Hf1Mg1Zn2 is a semiconducting ternary compound consisting of hafnium, magnesium, and zinc that is currently studied for its structural complexity.
What is Hf1Mg1Zn2 used for?
What is the band gap of Hf1Mg1Zn2?
Is Hf1Mg1Zn2 a metal, semiconductor, or insulator?
Is Hf1Mg1Zn2 thermodynamically stable?
What is the crystal structure of Hf1Mg1Zn2?
What is the density of Hf1Mg1Zn2?
How many polymorphs of Hf1Mg1Zn2 are known?
What elements does Hf1Mg1Zn2 contain?
Where does the data for Hf1Mg1Zn2 come from?
How It Compares
As a unique ternary phase, Hf1Mg1Zn2 serves as an exploratory candidate in the study of hafnium-based intermetallic systems, providing a distinct structural case study for how these specific elements coordinate in a semiconducting lattice.
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).
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