Hf2Ir1Nb1
This compound is a ternary intermetallic material composed of hafnium, iridium, and niobium. It is primarily studied in the field of materials science for its specific structural properties and potential behavior in extreme environments.
Key Properties
Cross-validated computational properties for Hf2Ir1Nb1, 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 Hf2Ir1Nb1, 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 | 0.09 | 4.1095 | -6.153 | 1.19 |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Hf2Ir1Nb1 is used.
Frequently Asked Questions
Common questions about Hf2Ir1Nb1, answered from cross-validated data.
What is Hf2Ir1Nb1?
This compound is a ternary intermetallic material composed of hafnium, iridium, and niobium. It is primarily studied in the field of materials science for its specific structural properties and potential behavior in extreme environments.
What is Hf2Ir1Nb1 used for?
What is the band gap of Hf2Ir1Nb1?
Is Hf2Ir1Nb1 a metal, semiconductor, or insulator?
Is Hf2Ir1Nb1 thermodynamically stable?
What is the crystal structure of Hf2Ir1Nb1?
What is the density of Hf2Ir1Nb1?
How many polymorphs of Hf2Ir1Nb1 are known?
What elements does Hf2Ir1Nb1 contain?
Where does the data for Hf2Ir1Nb1 come from?
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).
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