CrW
CrW is a metallic binary alloy consisting of chromium and tungsten that is often observed in metastable structural configurations.
About CrW
CrW is a metallic binary compound formed from chromium and tungsten. As a metallic system, it exhibits characteristic electron delocalization, which is typical for alloys composed of transition metals from these specific groups of the periodic table.
While it has been documented across multiple structural databases, the compound is categorized as being above the thermodynamic hull. This suggests that it may exist as a metastable phase or require specific synthesis conditions to be stabilized compared to its constituent elements.
Key Properties
Cross-validated computational properties for CrW, aggregated across 5 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 CrW. 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 CrW, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0338 | 0.034 | — |
| — | — | 0.00 | 0.0476 | 0.048 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.1212 | -33.099 | 13.86 |
| — | — | 0.00 | 0.1775 | 0.178 | — |
| — | — | 0.00 | 0.1797 | 0.180 | — |
| — | — | 0.00 | 0.1818 | 0.182 | — |
| — | — | 0.00 | 0.4448 | 0.445 | — |
| — | — | 0.00 | 0.4650 | 0.465 | — |
| — | — | 0.00 | 0.5551 | 0.555 | — |
| — | — | 0.00 | 0.5677 | 0.568 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5700 | 0.292 | — |
| — | — | 0.00 | 0.5775 | 0.578 | — |
Frequently Asked Questions
Common questions about CrW, answered from cross-validated data.
What is CrW?
CrW is a metallic binary alloy consisting of chromium and tungsten that is often observed in metastable structural configurations.
What is the band gap of CrW?
Is CrW a metal, semiconductor, or insulator?
Is CrW thermodynamically stable?
How many polymorphs of CrW are known?
What elements does CrW contain?
Where does the data for CrW come from?
How It Compares
As a binary transition metal system, CrW represents a specific point in the vast landscape of chromium-tungsten alloys. Without other specific siblings in this immediate class to compare against, it serves as a distinct example of how transition metal combinations can form complex structural arrangements that deviate from simple ground-state stability.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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