CoRe
CoRe is a metastable metallic intermetallic compound formed from cobalt and rhenium.
About CoRe
CoRe is a metallic intermetallic compound composed of cobalt and rhenium. As a metallic system, it exhibits characteristic electron delocalization, which influences its potential interactions in complex alloy environments. Its structural landscape is notably diverse, with a significant number of reported configurations across various crystallographic studies. Because it sits above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize. This complexity makes it a subject of interest for researchers investigating the phase stability of transition metal binary systems.
Key Properties
Cross-validated computational properties for CoRe, aggregated across 4 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 CoRe. 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 CoRe, 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 | 0.1217 | -32.704 | 15.72 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 15.30 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 16.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.44 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 15.91 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 15.82 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 9.10 |
| P21 (No. 4) | Monoclinic | — | — | — | 18.07 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 12.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.69 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 21.22 |
Applications
Where CoRe is used.
Frequently Asked Questions
Common questions about CoRe, answered from cross-validated data.
What is CoRe?
CoRe is a metastable metallic intermetallic compound formed from cobalt and rhenium.
What is CoRe used for?
What is the band gap of CoRe?
Is CoRe a metal, semiconductor, or insulator?
Is CoRe thermodynamically stable?
What is the crystal structure of CoRe?
What is the density of CoRe?
How many polymorphs of CoRe are known?
What elements does CoRe contain?
Where does the data for CoRe come from?
How It Compares
As a binary transition metal system, CoRe represents a unique intersection of cobalt and rhenium chemistry. Unlike more common, highly stable intermetallic phases, this compound occupies a metastable region of the phase diagram, highlighting the intricate balance of atomic packing and electronic states that define its existence compared to more robust, ground-state alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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