Mn2Re1Ti1
Mn2Re1Ti1 is a semimetallic ternary transition metal compound characterized by its metastable nature and diverse structural possibilities.
About Mn2Re1Ti1
Mn2Re1Ti1 is a complex ternary compound composed of manganese, rhenium, and titanium. It exhibits a semimetallic electronic character, placing it in a unique position between traditional metallic conductors and insulating materials.
Due to its position above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis requires precise experimental control. Its structural diversity is highlighted by numerous reported configurations, making it a subject of interest for fundamental materials research.
Key Properties
Cross-validated computational properties for Mn2Re1Ti1, 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 Mn2Re1Ti1, 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 | 0.06 | 3.7847 | -20.136 | 0.73 |
| Immm (No. 71) | orthorhombic | 0.00 | 4.0117 | -5.883 | 0.80 |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Mn2Re1Ti1, answered from cross-validated data.
What is Mn2Re1Ti1?
Mn2Re1Ti1 is a semimetallic ternary transition metal compound characterized by its metastable nature and diverse structural possibilities.
What is the band gap of Mn2Re1Ti1?
Is Mn2Re1Ti1 a metal, semiconductor, or insulator?
Is Mn2Re1Ti1 thermodynamically stable?
What is the crystal structure of Mn2Re1Ti1?
What is the density of Mn2Re1Ti1?
How many polymorphs of Mn2Re1Ti1 are known?
What elements does Mn2Re1Ti1 contain?
Where does the data for Mn2Re1Ti1 come from?
How It Compares
As a ternary phase with no direct structural siblings in this specific class, Mn2Re1Ti1 serves as a distinct case study for how transition metal combinations influence electronic behavior in complex lattices.
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).
Analyze Mn2Re1Ti1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →