Mo1Rh1Ti2
Mo1Rh1Ti2 is a semiconducting ternary alloy containing molybdenum, rhodium, and titanium that is studied for its unique structural properties within the platinum-group catalyst family.
About Mo1Rh1Ti2
Mo1Rh1Ti2 is a specialized ternary alloy belonging to the platinum-group catalyst class. Characterized by its semiconducting electronic nature, this material represents a complex arrangement of molybdenum, rhodium, and titanium atoms that has been documented across multiple structural configurations.
While its thermodynamic profile suggests it exists above the hull, indicating potential instability under standard conditions, the compound remains a subject of interest in materials science research. Its unique elemental composition makes it a candidate for investigating how transition metal combinations influence catalytic behavior in specialized chemical environments.
Key Properties
Cross-validated computational properties for Mo1Rh1Ti2, 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 Mo1Rh1Ti2, 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 | 0.16 | 3.6506 | -5.335 | 0.65 |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Mo1Rh1Ti2 is used.
Frequently Asked Questions
Common questions about Mo1Rh1Ti2, answered from cross-validated data.
What is Mo1Rh1Ti2?
Mo1Rh1Ti2 is a semiconducting ternary alloy containing molybdenum, rhodium, and titanium that is studied for its unique structural properties within the platinum-group catalyst family.
What is Mo1Rh1Ti2 used for?
What is the band gap of Mo1Rh1Ti2?
Is Mo1Rh1Ti2 a metal, semiconductor, or insulator?
Is Mo1Rh1Ti2 thermodynamically stable?
What is the crystal structure of Mo1Rh1Ti2?
What is the density of Mo1Rh1Ti2?
How many polymorphs of Mo1Rh1Ti2 are known?
What elements does Mo1Rh1Ti2 contain?
Where does the data for Mo1Rh1Ti2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or well-characterized members of the platinum-group alloy class such as LaRh or Ga2Ru, Mo1Rh1Ti2 exhibits a higher degree of structural complexity and thermodynamic sensitivity. While siblings like As2Pt or IrSe2 often demonstrate robust phases, this compound occupies a more precarious position in the phase space, highlighting the diverse range of stability found within this specific category of metallic alloys.
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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