Hf2Ir1Ti1
Hf2Ir1Ti1 is a semimetallic ternary alloy composed of hafnium, iridium, and titanium that serves as a subject for research into metastable intermetallic phases.
About Hf2Ir1Ti1
Hf2Ir1Ti1 is a complex ternary alloy categorized within the platinum-group metal systems. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in condensed matter physics and catalysis. Due to its position above the thermodynamic hull, this compound is considered metastable, representing a challenging synthetic target. Its existence within a broad family of related structures highlights its role as a candidate for exploring unique electronic states in intermetallic compounds.
Key Properties
Cross-validated computational properties for Hf2Ir1Ti1, 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 Hf2Ir1Ti1, 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 | 4.0121 | -5.708 | 1.16 |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Hf2Ir1Ti1 is used.
Frequently Asked Questions
Common questions about Hf2Ir1Ti1, answered from cross-validated data.
What is Hf2Ir1Ti1?
Hf2Ir1Ti1 is a semimetallic ternary alloy composed of hafnium, iridium, and titanium that serves as a subject for research into metastable intermetallic phases.
What is Hf2Ir1Ti1 used for?
What is the band gap of Hf2Ir1Ti1?
Is Hf2Ir1Ti1 a metal, semiconductor, or insulator?
Is Hf2Ir1Ti1 thermodynamically stable?
What is the crystal structure of Hf2Ir1Ti1?
What is the density of Hf2Ir1Ti1?
How many polymorphs of Hf2Ir1Ti1 are known?
What elements does Hf2Ir1Ti1 contain?
Where does the data for Hf2Ir1Ti1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, Hf2Ir1Ti1 occupies a distinct niche compared to more stable, well-characterized siblings like GeRu or IrSe2. While many members of this group are investigated for their robust catalytic properties, Hf2Ir1Ti1 is notable for its structural complexity, being represented by numerous reported configurations despite its inherent thermodynamic instability.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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 Hf2Ir1Ti1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →