MoOs
MoOs is a metallic, metastable compound formed from molybdenum and osmium that is frequently characterized in structural materials research.
About MoOs
MoOs is a metallic compound composed of molybdenum and osmium. Its electronic character is defined by a lack of a band gap, placing it firmly within the metallic regime of inorganic materials. As a metastable phase, it represents a specific structural arrangement that requires precise synthesis conditions to maintain its integrity.
This material is a subject of significant interest in structural research, supported by a substantial volume of reported structures across multiple databases. Its metallic nature and composition make it a candidate for studies involving transition metal alloys and their potential for specialized electronic or structural applications.
Key Properties
Cross-validated computational properties for MoOs, 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 MoOs. 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 MoOs, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0782 | -39.450 | 15.73 |
| — | — | 0.00 | 0.1086 | 0.075 | — |
| — | — | 0.00 | 0.1723 | 0.139 | — |
| — | — | 0.00 | 0.2852 | 0.252 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3444 | 0.342 | — |
| — | — | 0.00 | 0.4173 | 0.384 | — |
| — | — | 0.00 | 1.1368 | 1.103 | — |
| — | — | 0.00 | 1.4952 | 1.462 | — |
| P1 (No. 1) | triclinic | — | — | — | 15.25 |
| P1 (No. 1) | triclinic | — | — | — | 15.79 |
| P1 (No. 1) | triclinic | — | — | — | 15.93 |
| P1 (No. 1) | triclinic | — | — | — | 15.72 |
Applications
Where MoOs is used.
Frequently Asked Questions
Common questions about MoOs, answered from cross-validated data.
What is MoOs?
MoOs is a metallic, metastable compound formed from molybdenum and osmium that is frequently characterized in structural materials research.
What is MoOs used for?
What is the band gap of MoOs?
Is MoOs a metal, semiconductor, or insulator?
Is MoOs thermodynamically stable?
What is the crystal structure of MoOs?
What is the density of MoOs?
How many polymorphs of MoOs are known?
What elements does MoOs contain?
Where does the data for MoOs come from?
How It Compares
As a unique metallic phase, MoOs stands as an intriguing example of transition metal combinations. Without direct structural siblings in this specific dataset, it serves as a distinct point of reference for studying the stability and electronic behavior of binary molybdenum-osmium systems.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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