HIr
HIr is a metallic iridium hydride compound that typically exists in an unstable state relative to its constituent elements.
About HIr
HIr is a metallic hydride compound composed of iridium and hydrogen. As a metallic system, it exhibits conductive electronic behavior, reflecting the strong interaction between the transition metal and the light element within its lattice structure.
Despite its existence in numerous reported structural configurations across databases, the compound is characterized as being above the thermodynamic hull. This indicates that it is generally considered an unstable phase under standard conditions, often requiring specific high-pressure environments to stabilize.
Key Properties
Cross-validated computational properties for HIr, aggregated across 4 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 HIr, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.00 | 0.4242 | -27.483 | 17.21 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 17.13 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.04 |
| P2/m (No. 10) | Monoclinic | — | — | — | 9.17 |
| P1 (No. 1) | Triclinic | — | — | — | 13.10 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.81 |
| P1 (No. 1) | Triclinic | — | — | — | 9.54 |
| P1 (No. 1) | Triclinic | — | — | — | 14.72 |
| P2/m (No. 10) | Monoclinic | — | — | — | 14.89 |
| P21/m (No. 11) | Monoclinic | — | — | — | 19.13 |
| P21/m (No. 11) | Monoclinic | — | — | — | 17.77 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 17.62 |
Frequently Asked Questions
Common questions about HIr, answered from cross-validated data.
What is HIr?
HIr is a metallic iridium hydride compound that typically exists in an unstable state relative to its constituent elements.
What is the band gap of HIr?
Is HIr a metal, semiconductor, or insulator?
Is HIr thermodynamically stable?
What is the crystal structure of HIr?
What is the density of HIr?
How many polymorphs of HIr are known?
What elements does HIr contain?
Where does the data for HIr come from?
How It Compares
As a unique metallic hydride, HIr represents a specialized case within the broader family of transition metal hydrides, where the interplay between iridium's d-orbitals and hydrogen's s-orbitals dictates its complex structural landscape.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze HIr in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →