Hf2Tc1Zn1
Hf2Tc1Zn1 is a stable, semiconducting ternary compound consisting of hafnium, technetium, and zinc.
About Hf2Tc1Zn1
Hf2Tc1Zn1 is a distinct ternary compound composed of hafnium, technetium, and zinc. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that maintains integrity under standard conditions.
This material exhibits semiconducting electronic character, positioning it as an interesting candidate for specialized electronic or optoelectronic research. Its structural complexity is highlighted by a significant number of reported configurations, reflecting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for Hf2Tc1Zn1, 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 Hf2Tc1Zn1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -31.685 | 12.34 |
| Immm (No. 71) | orthorhombic | 0.13 | 3.4636 | -28.221 | 0.98 |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Hf2Tc1Zn1 is used.
Frequently Asked Questions
Common questions about Hf2Tc1Zn1, answered from cross-validated data.
What is Hf2Tc1Zn1?
Hf2Tc1Zn1 is a stable, semiconducting ternary compound consisting of hafnium, technetium, and zinc.
What is Hf2Tc1Zn1 used for?
What is the band gap of Hf2Tc1Zn1?
Is Hf2Tc1Zn1 a metal, semiconductor, or insulator?
Is Hf2Tc1Zn1 thermodynamically stable?
What is the crystal structure of Hf2Tc1Zn1?
What is the density of Hf2Tc1Zn1?
How many polymorphs of Hf2Tc1Zn1 are known?
What elements does Hf2Tc1Zn1 contain?
Where does the data for Hf2Tc1Zn1 come from?
How It Compares
As a unique ternary phase, Hf2Tc1Zn1 occupies a specialized niche within inorganic materials. Unlike more common binary intermetallics, its specific combination of transition metals allows for a distinct electronic profile that warrants further investigation into its potential functional properties.
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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