Hf1Os2Ti1
Hf1Os2Ti1 is a semiconducting ternary compound consisting of hafnium, osmium, and titanium that is currently of interest for structural and electronic research.
About Hf1Os2Ti1
Hf1Os2Ti1 is a complex ternary compound composed of hafnium, osmium, and titanium. It exhibits semiconducting electronic properties, positioning it as an interesting subject for fundamental solid-state physics investigations into multi-element systems.
While it has been identified across multiple structural configurations, the compound is characterized by its thermodynamic position above the hull. This suggests that it may be metastable or require specific synthesis conditions to stabilize, making it a target for advanced materials discovery efforts.
Key Properties
Cross-validated computational properties for Hf1Os2Ti1, 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 Hf1Os2Ti1, 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 | 0.17 | 4.4369 | -37.416 | 1.24 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hf1Os2Ti1, answered from cross-validated data.
What is Hf1Os2Ti1?
Hf1Os2Ti1 is a semiconducting ternary compound consisting of hafnium, osmium, and titanium that is currently of interest for structural and electronic research.
What is the band gap of Hf1Os2Ti1?
Is Hf1Os2Ti1 a metal, semiconductor, or insulator?
Is Hf1Os2Ti1 thermodynamically stable?
What is the crystal structure of Hf1Os2Ti1?
What is the density of Hf1Os2Ti1?
How many polymorphs of Hf1Os2Ti1 are known?
What elements does Hf1Os2Ti1 contain?
Where does the data for Hf1Os2Ti1 come from?
How It Compares
As a unique ternary system, Hf1Os2Ti1 represents an exploratory phase in materials science. Without established siblings in a defined class, it serves as a distinct example of how heavy transition metals and titanium can combine to form complex, semiconducting architectures that deviate from standard ground-state stability.
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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