HfOs
HfOs is a stable, metallic binary compound consisting of hafnium and osmium that is frequently documented in structural databases.
About HfOs
HfOs is a binary metallic compound formed from hafnium and osmium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these transition metals, reflecting a favorable energetic state that supports its existence across a wide range of structural arrangements.
Its metallic character defines its electronic behavior, making it a subject of interest in materials science research. With a significant number of reported structures across various databases, this compound serves as a critical reference point for understanding the complex bonding and structural diversity found in heavy transition metal alloys.
Key Properties
Cross-validated computational properties for HfOs, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HfOs. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for HfOs, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.771 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -49.914 | 17.94 |
| — | — | 0.00 | 0.0007 | -0.708 | — |
| — | — | 0.00 | 0.0120 | -0.697 | — |
| — | — | 0.00 | 0.5763 | -0.132 | — |
| — | — | 0.00 | 0.7017 | -0.007 | — |
| — | — | 0.00 | 1.0100 | 0.301 | — |
| — | — | 0.00 | 1.9467 | 1.238 | — |
| P-1 (No. 2) | triclinic | — | — | — | 7.99 |
| P-1 (No. 2) | triclinic | — | — | — | 16.95 |
| P1 (No. 1) | triclinic | — | — | — | 18.28 |
| P1 (No. 1) | triclinic | — | — | — | 16.71 |
Applications
Where HfOs is used.
Frequently Asked Questions
Common questions about HfOs, answered from cross-validated data.
What is HfOs?
HfOs is a stable, metallic binary compound consisting of hafnium and osmium that is frequently documented in structural databases.
What is HfOs used for?
What is the band gap of HfOs?
Is HfOs a metal, semiconductor, or insulator?
Is HfOs thermodynamically stable?
What is the crystal structure of HfOs?
How many polymorphs of HfOs are known?
What elements does HfOs contain?
Where does the data for HfOs come from?
How It Compares
As a thermodynamically stable metallic phase, HfOs stands as a well-documented example of binary transition metal systems, providing a stable structural baseline for exploring the interplay between hafnium and osmium in the broader landscape of intermetallic compounds.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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