CrGa
CrGa is a metallic intermetallic compound formed from chromium and gallium that exists in a metastable state.
About CrGa
CrGa is a metallic intermetallic compound composed of chromium and gallium. As a metastable phase, it represents a complex structural arrangement that highlights the diverse bonding interactions possible between transition metals and post-transition metals.
Its significance lies in its structural diversity, supported by a wealth of reported experimental and computational data. This material is primarily of interest to researchers investigating phase stability and the fundamental electronic properties of binary metallic systems.
Key Properties
Cross-validated computational properties for CrGa, aggregated across 6 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 CrGa. 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 CrGa, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0822 | -13.241 | 7.18 |
| — | — | 0.00 | 0.0995 | -0.001 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.1020 | 0.006 | — |
| — | — | 0.00 | 0.1871 | 0.087 | — |
| — | — | 0.00 | 0.1892 | 0.089 | — |
| — | — | 0.00 | 0.2406 | 0.141 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2483 | 0.153 | — |
| — | — | 0.00 | 0.3132 | 0.213 | — |
| — | — | 0.00 | 0.6803 | 0.580 | — |
| — | — | 0.00 | 1.2927 | 1.193 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.92 |
| P1 (No. 1) | triclinic | — | — | — | 6.50 |
Frequently Asked Questions
Common questions about CrGa, answered from cross-validated data.
What is CrGa?
CrGa is a metallic intermetallic compound formed from chromium and gallium that exists in a metastable state.
What is the band gap of CrGa?
Is CrGa a metal, semiconductor, or insulator?
Is CrGa thermodynamically stable?
What is the crystal structure of CrGa?
What is the density of CrGa?
How many polymorphs of CrGa are known?
What elements does CrGa contain?
Where does the data for CrGa come from?
How It Compares
As a binary intermetallic system, CrGa serves as a foundational example of metastable metallic phases, providing a critical reference point for understanding how chromium and gallium interact to form stable or transient crystalline structures in the absence of more complex alloying elements.
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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