Cr2Re1Ti1
Cr2Re1Ti1 is a semimetallic ternary compound of chromium, rhenium, and titanium that exists as a metastable phase with diverse structural possibilities.
About Cr2Re1Ti1
Cr2Re1Ti1 is a complex ternary compound composed of chromium, rhenium, and titanium. As a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the divide between metallic conductors and semiconductors, making it a subject of interest for fundamental condensed matter research. The material is characterized by a high degree of structural complexity, as evidenced by the numerous distinct configurations reported in databases. Because it resides above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize its atomic arrangement.
Key Properties
Cross-validated computational properties for Cr2Re1Ti1, 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 Cr2Re1Ti1, 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 | 0.08 | 4.1621 | -19.936 | 0.77 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Cr2Re1Ti1 is used.
Frequently Asked Questions
Common questions about Cr2Re1Ti1, answered from cross-validated data.
What is Cr2Re1Ti1?
Cr2Re1Ti1 is a semimetallic ternary compound of chromium, rhenium, and titanium that exists as a metastable phase with diverse structural possibilities.
What is Cr2Re1Ti1 used for?
What is the band gap of Cr2Re1Ti1?
Is Cr2Re1Ti1 a metal, semiconductor, or insulator?
Is Cr2Re1Ti1 thermodynamically stable?
What is the crystal structure of Cr2Re1Ti1?
What is the density of Cr2Re1Ti1?
How many polymorphs of Cr2Re1Ti1 are known?
What elements does Cr2Re1Ti1 contain?
Where does the data for Cr2Re1Ti1 come from?
How It Compares
As a unique ternary combination of transition metals, Cr2Re1Ti1 represents an exploratory phase in materials discovery. Unlike more conventional binary alloys, this compound serves as a case study in how the integration of rhenium and titanium into a chromium-based lattice influences electronic density near the Fermi level.
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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